2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide

C26H18N6O2 — CID 142723920

IUPAC2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2cc(-c3ccc(NC(=O)c4ccncc4)cc3)ncn2)nc2ccccc12
InChIInChI=1S/C26H18N6O2/c27-25(33)20-13-24(32-21-4-2-1-3-19(20)21)23-14-22(29-15-30-23)16-5-7-18(8-6-16)31-26(34)17-9-11-28-12-10-17/h1-15H,(H2,27,33)(H,31,34)
InChIKeyKQRISPYLRCJEGB-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.11
Rot. Bonds5

About 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide

2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide (PubChem CID 142723920) has the molecular formula C26H18N6O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide
PubChem CID142723920
Molecular FormulaC26H18N6O2
Molecular Weight446.47 g/mol
Exact Mass446.15
IUPAC Name2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2cc(-c3ccc(NC(=O)c4ccncc4)cc3)ncn2)nc2ccccc12
InChIInChI=1S/C26H18N6O2/c27-25(33)20-13-24(32-21-4-2-1-3-19(20)21)23-14-22(29-15-30-23)16-5-7-18(8-6-16)31-26(34)17-9-11-28-12-10-17/h1-15H,(H2,27,33)(H,31,34)
InChIKeyKQRISPYLRCJEGB-UHFFFAOYSA-N
XLogP4.11
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide
CID 56946178
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43048343
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 41173034
N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55958082

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide (CID 142723920) is 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide is NC(=O)c1cc(-c2cc(-c3ccc(NC(=O)c4ccncc4)cc3)ncn2)nc2ccccc12.
What is the InChIKey of 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide?
The InChIKey is KQRISPYLRCJEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O2/c27-25(33)20-13-24(32-21-4-2-1-3-19(20)21)23-14-22(29-15-30-23)16-5-7-18(8-6-16)31-26(34)17-9-11-28-12-10-17/h1-15H,(H2,27,33)(H,31,34).
What are the key properties of 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide?
2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 142723920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).