3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide

C23H31N5O — CID 46178460

IUPAC3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
SMILESNc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C23H31N5O/c24-17-8-4-7-16(13-17)18-11-12-26-14-21(18)28-23(29)22-19(25)9-10-20(27-22)15-5-2-1-3-6-15/h9-12,14-17H,1-8,13,24-25H2,(H,28,29)/t16-,17+/m1/s1
InChIKeyAKRXLINEJRYTHQ-SJORKVTESA-N
MW393.54 g/mol
LogP4.34
Rot. Bonds4

About 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide

3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide (PubChem CID 46178460) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
PubChem CID46178460
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
SMILESNc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C23H31N5O/c24-17-8-4-7-16(13-17)18-11-12-26-14-21(18)28-23(29)22-19(25)9-10-20(27-22)15-5-2-1-3-6-15/h9-12,14-17H,1-8,13,24-25H2,(H,28,29)/t16-,17+/m1/s1
InChIKeyAKRXLINEJRYTHQ-SJORKVTESA-N
XLogP4.34
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 118396829
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455721
4-(3-aminocyclohexyl)pyridin-3-amine
CID 67500188
3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol
CID 143951656
N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide
CID 91386223
3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70655194
3-amino-N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70655198
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 66554686
6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 77419838
3-amino-N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655187
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 25051457
6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 77419885

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide (CID 46178460) is 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide is Nc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The InChIKey is AKRXLINEJRYTHQ-SJORKVTESA-N. The full InChI is InChI=1S/C23H31N5O/c24-17-8-4-7-16(13-17)18-11-12-26-14-21(18)28-23(29)22-19(25)9-10-20(27-22)15-5-2-1-3-6-15/h9-12,14-17H,1-8,13,24-25H2,(H,28,29)/t16-,17+/m1/s1.
What are the key properties of 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 46178460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).