4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide

C20H26N6O2 — CID 121284898

IUPAC4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(C)cn2)cc1N[C@H]1CCCC[C@H]1C(N)=O
InChIInChI=1S/C20H26N6O2/c1-12-7-8-17(23-10-12)26-18-9-16(14(11-24-18)20(28)22-2)25-15-6-4-3-5-13(15)19(21)27/h7-11,13,15H,3-6H2,1-2H3,(H2,21,27)(H,22,28)(H2,23,24,25,26)/t13-,15+/m1/s1
InChIKeyZKABSBRCUOVJAW-HIFRSBDPSA-N
MW382.47 g/mol
LogP2.34
Rot. Bonds6

About 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide

4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 121284898) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID121284898
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(C)cn2)cc1N[C@H]1CCCC[C@H]1C(N)=O
InChIInChI=1S/C20H26N6O2/c1-12-7-8-17(23-10-12)26-18-9-16(14(11-24-18)20(28)22-2)25-15-6-4-3-5-13(15)19(21)27/h7-11,13,15H,3-6H2,1-2H3,(H2,21,27)(H,22,28)(H2,23,24,25,26)/t13-,15+/m1/s1
InChIKeyZKABSBRCUOVJAW-HIFRSBDPSA-N
XLogP2.34
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide (CID 121284898) is 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(C)cn2)cc1N[C@H]1CCCC[C@H]1C(N)=O.
What is the InChIKey of 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is ZKABSBRCUOVJAW-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12-7-8-17(23-10-12)26-18-9-16(14(11-24-18)20(28)22-2)25-15-6-4-3-5-13(15)19(21)27/h7-11,13,15H,3-6H2,1-2H3,(H2,21,27)(H,22,28)(H2,23,24,25,26)/t13-,15+/m1/s1.
What are the key properties of 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 121284898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).