(6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide

C23H25F2N5O2 — CID 172549790

IUPAC(6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C=C(c2ccc(F)cc2F)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21
InChIInChI=1S/C23H25F2N5O2/c1-12(22(31)30-19-6-5-18-16(19)4-7-21(26)29-18)28-23(32)20-10-13(8-9-27-20)15-3-2-14(24)11-17(15)25/h2-4,7,10-12,19-20,27H,5-6,8-9H2,1H3,(H2,26,29)(H,28,32)(H,30,31)/t12-,19+,20+/m0/s1
InChIKeyXUZALRAOBAEJDV-NXXCRTJYSA-N
MW441.48 g/mol
LogP2.00
Rot. Bonds5

About (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide

(6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide (PubChem CID 172549790) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide
PubChem CID172549790
Molecular FormulaC23H25F2N5O2
Molecular Weight441.48 g/mol
Exact Mass441.20
IUPAC Name(6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C=C(c2ccc(F)cc2F)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21
InChIInChI=1S/C23H25F2N5O2/c1-12(22(31)30-19-6-5-18-16(19)4-7-21(26)29-18)28-23(32)20-10-13(8-9-27-20)15-3-2-14(24)11-17(15)25/h2-4,7,10-12,19-20,27H,5-6,8-9H2,1H3,(H2,26,29)(H,28,32)(H,30,31)/t12-,19+,20+/m0/s1
InChIKeyXUZALRAOBAEJDV-NXXCRTJYSA-N
XLogP2.00
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide with MolForge

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Related Compounds

(6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 175445988
N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 175445976
(6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 175446030
(2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide
CID 175446020
(2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide
CID 172549826
N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide
CID 175445979
(2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide
CID 172549809
(2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 175445972
(4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 176761532
N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenyl-1H-pyrrole-2-carboxamide
CID 175445997
N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 175917854
(2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 172549740

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide?
The IUPAC name of (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide (CID 172549790) is (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide.
What is the SMILES notation for (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide?
The canonical SMILES for (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide is C[C@H](NC(=O)[C@H]1C=C(c2ccc(F)cc2F)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21.
What is the InChIKey of (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide?
The InChIKey is XUZALRAOBAEJDV-NXXCRTJYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c1-12(22(31)30-19-6-5-18-16(19)4-7-21(26)29-18)28-23(32)20-10-13(8-9-27-20)15-3-2-14(24)11-17(15)25/h2-4,7,10-12,19-20,27H,5-6,8-9H2,1H3,(H2,26,29)(H,28,32)(H,30,31)/t12-,19+,20+/m0/s1.
What are the key properties of (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide?
(6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridine-6-carboxamide is sourced from PubChem (CID 172549790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).