5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide

C21H30N6O2 — CID 90354273

IUPAC5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1nc(Nc2cc(N[C@@H]3CCCCC3N)cnc2C(N)=O)ccc1OC(C)C
InChIInChI=1S/C21H30N6O2/c1-12(2)29-18-8-9-19(25-13(18)3)27-17-10-14(11-24-20(17)21(23)28)26-16-7-5-4-6-15(16)22/h8-12,15-16,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t15?,16-/m1/s1
InChIKeyQAPZILGTGWPYKI-OEMAIJDKSA-N
MW398.51 g/mol
LogP3.10
Rot. Bonds7

About 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide

5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 90354273) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
PubChem CID90354273
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1nc(Nc2cc(N[C@@H]3CCCCC3N)cnc2C(N)=O)ccc1OC(C)C
InChIInChI=1S/C21H30N6O2/c1-12(2)29-18-8-9-19(25-13(18)3)27-17-10-14(11-24-20(17)21(23)28)26-16-7-5-4-6-15(16)22/h8-12,15-16,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t15?,16-/m1/s1
InChIKeyQAPZILGTGWPYKI-OEMAIJDKSA-N
XLogP3.10
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide with MolForge

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Related Compounds

2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10647341
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547584
3-amino-N-[3-(4-amino-3-methoxypiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873273
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(2-hydroxy-2-methylpropoxy)-2-methylpyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 118733353
N-(6-ethyl-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60198043
6-((1R,2S)-2-aminocyclohexylamino)-4-(5-methoxy-6-propylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71625975
4-((6-(2-(isopropylamino)-6-oxo-1,6-dihydropyrimidin-5-yl)pyridin-3-yl)oxy)-N-methylpicolinamide
CID 86267613
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]pyrimidine-4-carboxamide
CID 124156548
6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415234
5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyrimidine-4-carboxamide
CID 44323803
(Z)-3-[(3-methoxy-2-pyridinyl)amino]-1-pyridin-2-ylprop-2-en-1-one
CID 156016464

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide (CID 90354273) is 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1nc(Nc2cc(N[C@@H]3CCCCC3N)cnc2C(N)=O)ccc1OC(C)C.
What is the InChIKey of 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The InChIKey is QAPZILGTGWPYKI-OEMAIJDKSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-12(2)29-18-8-9-19(25-13(18)3)27-17-10-14(11-24-20(17)21(23)28)26-16-7-5-4-6-15(16)22/h8-12,15-16,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t15?,16-/m1/s1.
What are the key properties of 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 90354273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).