1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide

C27H30N8O3 — CID 175909497

IUPAC1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide
SMILESNC(=O)C1=NC(N2CCOCC2)N(C2CCN(C(=O)c3cccc(-c4nc5ccccc5[nH]4)n3)CC2)C=C1
InChIInChI=1S/C27H30N8O3/c28-24(36)21-10-13-35(27(32-21)34-14-16-38-17-15-34)18-8-11-33(12-9-18)26(37)23-7-3-6-22(29-23)25-30-19-4-1-2-5-20(19)31-25/h1-7,10,13,18,27H,8-9,11-12,14-17H2,(H2,28,36)(H,30,31)
InChIKeyLWLDGNFBRMOJLZ-UHFFFAOYSA-N
MW514.59 g/mol
LogP1.60
Rot. Bonds5

About 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide

1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide (PubChem CID 175909497) has the molecular formula C27H30N8O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide
PubChem CID175909497
Molecular FormulaC27H30N8O3
Molecular Weight514.59 g/mol
Exact Mass514.24
IUPAC Name1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide
SMILESNC(=O)C1=NC(N2CCOCC2)N(C2CCN(C(=O)c3cccc(-c4nc5ccccc5[nH]4)n3)CC2)C=C1
InChIInChI=1S/C27H30N8O3/c28-24(36)21-10-13-35(27(32-21)34-14-16-38-17-15-34)18-8-11-33(12-9-18)26(37)23-7-3-6-22(29-23)25-30-19-4-1-2-5-20(19)31-25/h1-7,10,13,18,27H,8-9,11-12,14-17H2,(H2,28,36)(H,30,31)
InChIKeyLWLDGNFBRMOJLZ-UHFFFAOYSA-N
XLogP1.60
TPSA133.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
CID 121299620
[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone
CID 121298742
ethyl 1,4-bis[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazine-2-carboxylate
CID 138673006
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685
6-(1H-benzimidazol-2-yl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 102164753
[5-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanone
CID 170038454
6-(1H-benzimidazol-2-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 59406459
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421
1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide
CID 137303147
(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110471567
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162039764

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide?
The IUPAC name of 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide (CID 175909497) is 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide.
What is the SMILES notation for 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide?
The canonical SMILES for 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide is NC(=O)C1=NC(N2CCOCC2)N(C2CCN(C(=O)c3cccc(-c4nc5ccccc5[nH]4)n3)CC2)C=C1.
What is the InChIKey of 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide?
The InChIKey is LWLDGNFBRMOJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O3/c28-24(36)21-10-13-35(27(32-21)34-14-16-38-17-15-34)18-8-11-33(12-9-18)26(37)23-7-3-6-22(29-23)25-30-19-4-1-2-5-20(19)31-25/h1-7,10,13,18,27H,8-9,11-12,14-17H2,(H2,28,36)(H,30,31).
What are the key properties of 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide?
1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide has a molecular weight of 514.59 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-2H-pyrimidine-4-carboxamide is sourced from PubChem (CID 175909497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).