N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide

C14H16N4O2 — CID 16787006

IUPACN-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
SMILESNCc1cccc(NC(=O)CCn2cccnc2=O)c1
InChIInChI=1S/C14H16N4O2/c15-10-11-3-1-4-12(9-11)17-13(19)5-8-18-7-2-6-16-14(18)20/h1-4,6-7,9H,5,8,10,15H2,(H,17,19)
InChIKeyBQKNZMWTOJTRLU-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.73
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide

N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide (PubChem CID 16787006) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
PubChem CID16787006
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
SMILESNCc1cccc(NC(=O)CCn2cccnc2=O)c1
InChIInChI=1S/C14H16N4O2/c15-10-11-3-1-4-12(9-11)17-13(19)5-8-18-7-2-6-16-14(18)20/h1-4,6-7,9H,5,8,10,15H2,(H,17,19)
InChIKeyBQKNZMWTOJTRLU-UHFFFAOYSA-N
XLogP0.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 63254516
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
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N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16792339
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431
N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788872
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71887562
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide (CID 16787006) is N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide is NCc1cccc(NC(=O)CCn2cccnc2=O)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide?
The InChIKey is BQKNZMWTOJTRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-10-11-3-1-4-12(9-11)17-13(19)5-8-18-7-2-6-16-14(18)20/h1-4,6-7,9H,5,8,10,15H2,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide has a molecular weight of 272.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 16787006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).