3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide

C19H17N5O2 — CID 155910541

IUPAC3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C19H17N5O2/c1-13-21-14-6-2-3-7-16(14)23(13)11-9-18(25)22-15-12-20-17-8-4-5-10-24(17)19(15)26/h2-8,10,12H,9,11H2,1H3,(H,22,25)
InChIKeyKSSRSOQXCRIQQK-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.38
Rot. Bonds4

About 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide

3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (PubChem CID 155910541) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
PubChem CID155910541
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C19H17N5O2/c1-13-21-14-6-2-3-7-16(14)23(13)11-9-18(25)22-15-12-20-17-8-4-5-10-24(17)19(15)26/h2-8,10,12H,9,11H2,1H3,(H,22,25)
InChIKeyKSSRSOQXCRIQQK-UHFFFAOYSA-N
XLogP2.38
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
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CID 4738084
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3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide
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N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
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N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
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hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111766535
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (CID 155910541) is 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is Cc1nc2ccccc2n1CCC(=O)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The InChIKey is KSSRSOQXCRIQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13-21-14-6-2-3-7-16(14)23(13)11-9-18(25)22-15-12-20-17-8-4-5-10-24(17)19(15)26/h2-8,10,12H,9,11H2,1H3,(H,22,25).
What are the key properties of 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide has a molecular weight of 347.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 155910541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).