5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide

C27H29N7O2 — CID 90354459

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)ccc1-c1ccc(-c2ncco2)cc1
InChIInChI=1S/C27H29N7O2/c1-16-20(17-6-8-18(9-7-17)27-30-12-13-36-27)10-11-24(32-16)34-23-14-19(15-31-25(23)26(29)35)33-22-5-3-2-4-21(22)28/h6-15,21-22,33H,2-5,28H2,1H3,(H2,29,35)(H,32,34)/t21-,22+/m0/s1
InChIKeyGOWUSNPORKHALK-FCHUYYIVSA-N
MW483.58 g/mol
LogP4.63
Rot. Bonds7

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide (PubChem CID 90354459) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide
PubChem CID90354459
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)ccc1-c1ccc(-c2ncco2)cc1
InChIInChI=1S/C27H29N7O2/c1-16-20(17-6-8-18(9-7-17)27-30-12-13-36-27)10-11-24(32-16)34-23-14-19(15-31-25(23)26(29)35)33-22-5-3-2-4-21(22)28/h6-15,21-22,33H,2-5,28H2,1H3,(H2,29,35)(H,32,34)/t21-,22+/m0/s1
InChIKeyGOWUSNPORKHALK-FCHUYYIVSA-N
XLogP4.63
TPSA144.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide (CID 90354459) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide is Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)ccc1-c1ccc(-c2ncco2)cc1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide?
The InChIKey is GOWUSNPORKHALK-FCHUYYIVSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-16-20(17-6-8-18(9-7-17)27-30-12-13-36-27)10-11-24(32-16)34-23-14-19(15-31-25(23)26(29)35)33-22-5-3-2-4-21(22)28/h6-15,21-22,33H,2-5,28H2,1H3,(H2,29,35)(H,32,34)/t21-,22+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 4.63, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 90354459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).