N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide

C21H25N5O2 — CID 156753223

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NCc1cnn2ccccc12
InChIInChI=1S/C21H25N5O2/c1-14-18(23-12-16-13-24-26-9-5-4-7-19(16)26)10-15(11-22-14)21(28)25-17-6-2-3-8-20(17)27/h4-5,7,9-11,13,17,20,23,27H,2-3,6,8,12H2,1H3,(H,25,28)/t17-,20-/m0/s1
InChIKeyKREKEHXCPYVQKH-PXNSSMCTSA-N
MW379.46 g/mol
LogP2.68
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 156753223) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID156753223
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NCc1cnn2ccccc12
InChIInChI=1S/C21H25N5O2/c1-14-18(23-12-16-13-24-26-9-5-4-7-19(16)26)10-15(11-22-14)21(28)25-17-6-2-3-8-20(17)27/h4-5,7,9-11,13,17,20,23,27H,2-3,6,8,12H2,1H3,(H,25,28)/t17-,20-/m0/s1
InChIKeyKREKEHXCPYVQKH-PXNSSMCTSA-N
XLogP2.68
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid
CID 63312195
3-[(2-chloropyrimidin-5-yl)methylamino]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753165
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
N-(2-hydroxycyclohexyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 62359400
2-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311958
2-[2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)phenyl]acetamide
CID 63315386
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide
CID 156753105
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
4-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315130
N-[(1S,2S)-2-hydroxycyclohexyl]-3-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methylamino]-4-methylbenzamide
CID 156753004
(3S)-1,1-dioxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thian-3-amine
CID 164633540
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[3-(2-methylpropylcarbamoyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 154674640

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 156753223) is N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide is Cc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NCc1cnn2ccccc12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is KREKEHXCPYVQKH-PXNSSMCTSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-18(23-12-16-13-24-26-9-5-4-7-19(16)26)10-15(11-22-14)21(28)25-17-6-2-3-8-20(17)27/h4-5,7,9-11,13,17,20,23,27H,2-3,6,8,12H2,1H3,(H,25,28)/t17-,20-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 156753223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).