N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide

C19H22N4O2 — CID 3278008

IUPACN-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)ncc1NC(=O)c1cccnc1
InChIInChI=1S/C19H22N4O2/c1-13-10-17(23-18(24)14-6-3-2-4-7-14)21-12-16(13)22-19(25)15-8-5-9-20-11-15/h5,8-12,14H,2-4,6-7H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOYJCOUBLUXTONG-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.56
Rot. Bonds4

About N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide

N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 3278008) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide
PubChem CID3278008
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)ncc1NC(=O)c1cccnc1
InChIInChI=1S/C19H22N4O2/c1-13-10-17(23-18(24)14-6-3-2-4-7-14)21-12-16(13)22-19(25)15-8-5-9-20-11-15/h5,8-12,14H,2-4,6-7H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOYJCOUBLUXTONG-UHFFFAOYSA-N
XLogP3.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide (CID 3278008) is N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide is Cc1cc(NC(=O)C2CCCCC2)ncc1NC(=O)c1cccnc1.
What is the InChIKey of N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is OYJCOUBLUXTONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-10-17(23-18(24)14-6-3-2-4-7-14)21-12-16(13)22-19(25)15-8-5-9-20-11-15/h5,8-12,14H,2-4,6-7H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide?
N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 3278008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).