N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide

C20H18N4O3 — CID 1453037

IUPACN-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c(NC(=O)c3ccccn3)cn2)cc1
InChIInChI=1S/C20H18N4O3/c1-13-11-18(24-19(25)14-6-8-15(27-2)9-7-14)22-12-17(13)23-20(26)16-5-3-4-10-21-16/h3-12H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyDKNICMFSCPSEIP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.30
Rot. Bonds5

About N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide

N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 1453037) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide
PubChem CID1453037
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c(NC(=O)c3ccccn3)cn2)cc1
InChIInChI=1S/C20H18N4O3/c1-13-11-18(24-19(25)14-6-8-15(27-2)9-7-14)22-12-17(13)23-20(26)16-5-3-4-10-21-16/h3-12H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyDKNICMFSCPSEIP-UHFFFAOYSA-N
XLogP3.30
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide (CID 1453037) is N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide is COc1ccc(C(=O)Nc2cc(C)c(NC(=O)c3ccccn3)cn2)cc1.
What is the InChIKey of N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is DKNICMFSCPSEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-11-18(24-19(25)14-6-8-15(27-2)9-7-14)22-12-17(13)23-20(26)16-5-3-4-10-21-16/h3-12H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide?
N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 1453037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).