6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide

C21H23BrN6O — CID 56599952

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(Br)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C21H23BrN6O/c22-15-10-14(19(24)29)20(28-21(15)27-18-8-4-2-6-16(18)23)26-13-9-12-5-1-3-7-17(12)25-11-13/h1,3,5,7,9-11,16,18H,2,4,6,8,23H2,(H2,24,29)(H2,26,27,28)/t16-,18+/m0/s1
InChIKeySHKUKFUCNWMTHH-FUHWJXTLSA-N
MW455.36 g/mol
LogP3.92
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide (PubChem CID 56599952) has the molecular formula C21H23BrN6O and a molecular weight of 455.36 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide
PubChem CID56599952
Molecular FormulaC21H23BrN6O
Molecular Weight455.36 g/mol
Exact Mass454.11
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(Br)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C21H23BrN6O/c22-15-10-14(19(24)29)20(28-21(15)27-18-8-4-2-6-16(18)23)26-13-9-12-5-1-3-7-17(12)25-11-13/h1,3,5,7,9-11,16,18H,2,4,6,8,23H2,(H2,24,29)(H2,26,27,28)/t16-,18+/m0/s1
InChIKeySHKUKFUCNWMTHH-FUHWJXTLSA-N
XLogP3.92
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
CID 102738838
6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 129192227
6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67509222
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 67774949
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
CID 69284244
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 77353295
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
CID 69284851
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide (CID 56599952) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide is NC(=O)c1cc(Br)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cnc2ccccc2c1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is SHKUKFUCNWMTHH-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H23BrN6O/c22-15-10-14(19(24)29)20(28-21(15)27-18-8-4-2-6-16(18)23)26-13-9-12-5-1-3-7-17(12)25-11-13/h1,3,5,7,9-11,16,18H,2,4,6,8,23H2,(H2,24,29)(H2,26,27,28)/t16-,18+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 455.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 56599952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).