N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C15H18N6O3 — CID 171655111

IUPACN-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCNc1cnc2n(c1=O)C(C(=O)NCc1ccc(N)[nH]c1=O)CC2
InChIInChI=1S/C15H18N6O3/c1-17-9-7-18-12-5-3-10(21(12)15(9)24)14(23)19-6-8-2-4-11(16)20-13(8)22/h2,4,7,10,17H,3,5-6H2,1H3,(H,19,23)(H3,16,20,22)
InChIKeyOYCZLIQHDLTOQH-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.64
Rot. Bonds4

About N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 171655111) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID171655111
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC NameN-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCNc1cnc2n(c1=O)C(C(=O)NCc1ccc(N)[nH]c1=O)CC2
InChIInChI=1S/C15H18N6O3/c1-17-9-7-18-12-5-3-10(21(12)15(9)24)14(23)19-6-8-2-4-11(16)20-13(8)22/h2,4,7,10,17H,3,5-6H2,1H3,(H,19,23)(H3,16,20,22)
InChIKeyOYCZLIQHDLTOQH-UHFFFAOYSA-N
XLogP-0.64
TPSA134.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

3-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166692535
3-[[(5-Oxopyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166692536
3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166692668
2-methyl-3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723293
N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)
CID 171655102
1-acetyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-prolinamide
CID 136662249
N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)-L-prolinamide
CID 136967949
1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 154763108

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 171655111) is N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is CNc1cnc2n(c1=O)C(C(=O)NCc1ccc(N)[nH]c1=O)CC2.
What is the InChIKey of N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is OYCZLIQHDLTOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-17-9-7-18-12-5-3-10(21(12)15(9)24)14(23)19-6-8-2-4-11(16)20-13(8)22/h2,4,7,10,17H,3,5-6H2,1H3,(H,19,23)(H3,16,20,22).
What are the key properties of N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 330.35 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 171655111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).