7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide

C18H23N5O2 — CID 66924098

IUPAC7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCNC(=O)c1cnc2nc[nH]c2c1NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2
InChIInChI=1S/C18H23N5O2/c1-19-17(24)12-7-20-16-15(21-8-22-16)14(12)23-13-10-2-9-3-11(13)6-18(25,4-9)5-10/h7-11,13,25H,2-6H2,1H3,(H,19,24)(H2,20,21,22,23)/t9?,10-,11-,13?,18?/m0/s1
InChIKeyTVCRCGDXUPJZFZ-RUKVWWCCSA-N
MW341.42 g/mol
LogP1.67
Rot. Bonds3

About 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide

7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 66924098) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID66924098
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCNC(=O)c1cnc2nc[nH]c2c1NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2
InChIInChI=1S/C18H23N5O2/c1-19-17(24)12-7-20-16-15(21-8-22-16)14(12)23-13-10-2-9-3-11(13)6-18(25,4-9)5-10/h7-11,13,25H,2-6H2,1H3,(H,19,24)(H2,20,21,22,23)/t9?,10-,11-,13?,18?/m0/s1
InChIKeyTVCRCGDXUPJZFZ-RUKVWWCCSA-N
XLogP1.67
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

ethyl 7-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxylate
CID 123462747
4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792279
4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792178
N-(2-amino-2-methylpropyl)-4-[(5-hydroxy-2-adamantyl)amino]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70795959
4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 164744203
[(Z)-1-aminoethylideneamino] 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 87206460
4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 76659220
4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol
CID 90743712
2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide
CID 58230437
methyl 4-[(5-methyl-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 157468591
N-(5-hydroxy-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037649

Frequently Asked Questions

What is the IUPAC name of 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 66924098) is 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide is CNC(=O)c1cnc2nc[nH]c2c1NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2.
What is the InChIKey of 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is TVCRCGDXUPJZFZ-RUKVWWCCSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-17(24)12-7-20-16-15(21-8-22-16)14(12)23-13-10-2-9-3-11(13)6-18(25,4-9)5-10/h7-11,13,25H,2-6H2,1H3,(H,19,24)(H2,20,21,22,23)/t9?,10-,11-,13?,18?/m0/s1.
What are the key properties of 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 66924098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).