4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide

C20H24N6O2 — CID 67371527

IUPAC4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cnccn2)cc1NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2
InChIInChI=1S/C20H24N6O2/c21-19(27)14-9-24-16(26-17-10-22-1-2-23-17)5-15(14)25-18-12-3-11-4-13(18)8-20(28,6-11)7-12/h1-2,5,9-13,18,28H,3-4,6-8H2,(H2,21,27)(H2,23,24,25,26)/t11?,12-,13+,18?,20?
InChIKeyRYMOLRTUEFRPMP-SGQHNCPESA-N
MW380.45 g/mol
LogP2.07
Rot. Bonds5

About 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide

4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide (PubChem CID 67371527) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
PubChem CID67371527
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cnccn2)cc1NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2
InChIInChI=1S/C20H24N6O2/c21-19(27)14-9-24-16(26-17-10-22-1-2-23-17)5-15(14)25-18-12-3-11-4-13(18)8-20(28,6-11)7-12/h1-2,5,9-13,18,28H,3-4,6-8H2,(H2,21,27)(H2,23,24,25,26)/t11?,12-,13+,18?,20?
InChIKeyRYMOLRTUEFRPMP-SGQHNCPESA-N
XLogP2.07
TPSA126.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
CID 77274405
6-[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]-4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]pyridine-3-carboxamide
CID 67371262
4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene
CID 143999950
4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
CID 67371252
4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 76659220
4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)methyl]pyridine-3-carboxamide
CID 58440359
4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 164744203
5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide
CID 114090404
6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
CID 167147026
1-[4-[[4-[(5-hydroxy-2-adamantyl)amino]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxamide
CID 57336119
N-(2-amino-2-methylpropyl)-4-[(5-hydroxy-2-adamantyl)amino]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70795959

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide (CID 67371527) is 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2cnccn2)cc1NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2.
What is the InChIKey of 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide?
The InChIKey is RYMOLRTUEFRPMP-SGQHNCPESA-N. The full InChI is InChI=1S/C20H24N6O2/c21-19(27)14-9-24-16(26-17-10-22-1-2-23-17)5-15(14)25-18-12-3-11-4-13(18)8-20(28,6-11)7-12/h1-2,5,9-13,18,28H,3-4,6-8H2,(H2,21,27)(H2,23,24,25,26)/t11?,12-,13+,18?,20?.
What are the key properties of 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide?
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67371527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).