6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

C28H24N8O2 — CID 165415129

IUPAC6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C28H24N8O2/c1-29-27(37)19-11-23-24(35-26(34-23)17-5-3-2-4-6-17)12-22(19)36-28(38)25-21(32-18-13-30-15-31-14-18)10-9-20(33-25)16-7-8-16/h2-6,9-16,32H,7-8H2,1H3,(H,29,37)(H,34,35)(H,36,38)
InChIKeyVYGBOFYSBHDHBV-UHFFFAOYSA-N
MW504.55 g/mol
LogP4.65
Rot. Bonds7

About 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165415129) has the molecular formula C28H24N8O2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165415129
Molecular FormulaC28H24N8O2
Molecular Weight504.55 g/mol
Exact Mass504.20
IUPAC Name6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C28H24N8O2/c1-29-27(37)19-11-23-24(35-26(34-23)17-5-3-2-4-6-17)12-22(19)36-28(38)25-21(32-18-13-30-15-31-14-18)10-9-20(33-25)16-7-8-16/h2-6,9-16,32H,7-8H2,1H3,(H,29,37)(H,34,35)(H,36,38)
InChIKeyVYGBOFYSBHDHBV-UHFFFAOYSA-N
XLogP4.65
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

Avp-13358
CID 9805635
IN-1130
CID 11676119
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
Adibendan
CID 65867
N-[4-acetamido-2-(methylcarbamoyl)phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 70649587
1-[[5-[[(4-Methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[N-ethyl-N-[3-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]piperidine
CID 462978
N-[2-[4-[ethyl-[3-(ethylamino)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-carboxamide
CID 462974
Piperazine, 1-((5-amino-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453387
N-[2-({4-[[3-(Isopropylamino)pyridin-2-yl](methyl)amino]piperidin-1-yl}carbonyl)-1H-indol-5-yl]-N'-methylurea
CID 462955
1-[[5-[[(4-Methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[N-ethyl-N-[3-[(1-methylethyl)amino]-2-pyridinyl]amino]piperidine
CID 462976
6-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyridine-3-carboxamide
CID 9978508
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243

Frequently Asked Questions

What is the IUPAC name of 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165415129) is 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is VYGBOFYSBHDHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O2/c1-29-27(37)19-11-23-24(35-26(34-23)17-5-3-2-4-6-17)12-22(19)36-28(38)25-21(32-18-13-30-15-31-14-18)10-9-20(33-25)16-7-8-16/h2-6,9-16,32H,7-8H2,1H3,(H,29,37)(H,34,35)(H,36,38).
What are the key properties of 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).