2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C14H17N5O2 — CID 90647553

IUPAC2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCNc2ccncc2C)c(=O)[nH]1
InChIInChI=1S/C14H17N5O2/c1-9-7-15-4-3-12(9)16-5-6-17-13(20)11-8-18-10(2)19-14(11)21/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,20)(H,18,19,21)
InChIKeyOHPPCBGNCUTEPW-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.62
Rot. Bonds5

About 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 90647553) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID90647553
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCNc2ccncc2C)c(=O)[nH]1
InChIInChI=1S/C14H17N5O2/c1-9-7-15-4-3-12(9)16-5-6-17-13(20)11-8-18-10(2)19-14(11)21/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,20)(H,18,19,21)
InChIKeyOHPPCBGNCUTEPW-UHFFFAOYSA-N
XLogP0.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 131912498
2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77087256
5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide
CID 131933198
N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857421
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 136607679
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97153419
2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
CID 110848195
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid
CID 154911843
(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
CID 126451165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 90647553) is 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCNc2ccncc2C)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OHPPCBGNCUTEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-7-15-4-3-12(9)16-5-6-17-13(20)11-8-18-10(2)19-14(11)21/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,20)(H,18,19,21).
What are the key properties of 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90647553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).