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

C19H26N6O — CID 71544435

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1
InChIInChI=1S/C19H26N6O/c1-11-7-12(2)23-18(8-11)25-16-9-17(22-10-13(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,22,23,24,25)/t14-,15+/m0/s1
InChIKeyUIOQCPHTCWIKNX-LSDHHAIUSA-N
MW354.46 g/mol
LogP2.62
Rot. Bonds5

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 71544435) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID71544435
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1
InChIInChI=1S/C19H26N6O/c1-11-7-12(2)23-18(8-11)25-16-9-17(22-10-13(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,22,23,24,25)/t14-,15+/m0/s1
InChIKeyUIOQCPHTCWIKNX-LSDHHAIUSA-N
XLogP2.62
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide (CID 71544435) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide is Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is UIOQCPHTCWIKNX-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N6O/c1-11-7-12(2)23-18(8-11)25-16-9-17(22-10-13(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,22,23,24,25)/t14-,15+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.62, 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]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 71544435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).