6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide

C17H24N4O2 — CID 164518109

IUPAC6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](Nc2cc(NC3[C@@H]4C[C@@H]34)ncc2C(N)=O)C[C@H]1O
InChIInChI=1S/C17H24N4O2/c1-8-2-3-9(4-14(8)22)20-13-6-15(19-7-12(13)17(18)23)21-16-10-5-11(10)16/h6-11,14,16,22H,2-5H2,1H3,(H2,18,23)(H2,19,20,21)/t8-,9-,10-,11-,14-/m1/s1
InChIKeyFPYJIFJSFLWPIK-GOBQNSBTSA-N
MW316.41 g/mol
LogP1.57
Rot. Bonds5

About 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide

6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 164518109) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide
PubChem CID164518109
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](Nc2cc(NC3[C@@H]4C[C@@H]34)ncc2C(N)=O)C[C@H]1O
InChIInChI=1S/C17H24N4O2/c1-8-2-3-9(4-14(8)22)20-13-6-15(19-7-12(13)17(18)23)21-16-10-5-11(10)16/h6-11,14,16,22H,2-5H2,1H3,(H2,18,23)(H2,19,20,21)/t8-,9-,10-,11-,14-/m1/s1
InChIKeyFPYJIFJSFLWPIK-GOBQNSBTSA-N
XLogP1.57
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[(2-hydroxycyclobutyl)amino]-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 167147038
6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
CID 167147026
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 71237996
4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118371240
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1-methylcyclopentyl)amino]pyrimidine-5-carboxamide
CID 71237293
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(3,3,3-trifluoroprop-1-en-2-ylamino)pyrimidine-5-carboxamide
CID 130206512
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 71242409
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 71237447
2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 158793535
2-amino-5-[(4-methylcyclohexyl)amino]pyridine-4-carboxamide
CID 114194775

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide (CID 164518109) is 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide is C[C@@H]1CC[C@@H](Nc2cc(NC3[C@@H]4C[C@@H]34)ncc2C(N)=O)C[C@H]1O.
What is the InChIKey of 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is FPYJIFJSFLWPIK-GOBQNSBTSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-8-2-3-9(4-14(8)22)20-13-6-15(19-7-12(13)17(18)23)21-16-10-5-11(10)16/h6-11,14,16,22H,2-5H2,1H3,(H2,18,23)(H2,19,20,21)/t8-,9-,10-,11-,14-/m1/s1.
What are the key properties of 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide?
6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164518109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).