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

C22H23N5O2 — CID 175445997

IUPACN-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenyl-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)c[nH]1)C(=O)N[C@@H]1CCc2nc(N)ccc21
InChIInChI=1S/C22H23N5O2/c1-13(21(28)27-18-9-8-17-16(18)7-10-20(23)26-17)25-22(29)19-11-15(12-24-19)14-5-3-2-4-6-14/h2-7,10-13,18,24H,8-9H2,1H3,(H2,23,26)(H,25,29)(H,27,28)/t13?,18-/m1/s1
InChIKeyDNYWMEGBHUZUAH-PQJIZZRHSA-N
MW389.46 g/mol
LogP2.58
Rot. Bonds5

About 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

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 (PubChem CID 175445997) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenyl-1H-pyrrole-2-carboxamide
PubChem CID175445997
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenyl-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)c[nH]1)C(=O)N[C@@H]1CCc2nc(N)ccc21
InChIInChI=1S/C22H23N5O2/c1-13(21(28)27-18-9-8-17-16(18)7-10-20(23)26-17)25-22(29)19-11-15(12-24-19)14-5-3-2-4-6-14/h2-7,10-13,18,24H,8-9H2,1H3,(H2,23,26)(H,25,29)(H,27,28)/t13?,18-/m1/s1
InChIKeyDNYWMEGBHUZUAH-PQJIZZRHSA-N
XLogP2.58
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(NC(=O)c1cc(-c2ccccc2)c[nH]1)C(=O)N[C@@H]1CCc2nc(N)ccc21.
What is the InChIKey of 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?
The InChIKey is DNYWMEGBHUZUAH-PQJIZZRHSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13(21(28)27-18-9-8-17-16(18)7-10-20(23)26-17)25-22(29)19-11-15(12-24-19)14-5-3-2-4-6-14/h2-7,10-13,18,24H,8-9H2,1H3,(H2,23,26)(H,25,29)(H,27,28)/t13?,18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 389.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175445997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).