N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide

C12H15N5O — CID 157128839

IUPACN-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCNCCCNC(=O)c1ccc2cncnc2n1
InChIInChI=1S/C12H15N5O/c1-13-5-2-6-15-12(18)10-4-3-9-7-14-8-16-11(9)17-10/h3-4,7-8,13H,2,5-6H2,1H3,(H,15,18)
InChIKeyAIUXCPRULNGOCC-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.36
Rot. Bonds5

About N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide

N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 157128839) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID157128839
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCNCCCNC(=O)c1ccc2cncnc2n1
InChIInChI=1S/C12H15N5O/c1-13-5-2-6-15-12(18)10-4-3-9-7-14-8-16-11(9)17-10/h3-4,7-8,13H,2,5-6H2,1H3,(H,15,18)
InChIKeyAIUXCPRULNGOCC-UHFFFAOYSA-N
XLogP0.36
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
CID 119431033
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119432864
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[4-(methylamino)butoxy]pyrimidin-5-yl]pyridine-2-carboxamide
CID 118416958
2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide
CID 177421665
N-[3-[methyl-[3-(methylamino)propyl]amino]propyl]pyridine-2-carboxamide
CID 59828295
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119431722
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide
CID 119429883

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide (CID 157128839) is N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide is CNCCCNC(=O)c1ccc2cncnc2n1.
What is the InChIKey of N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is AIUXCPRULNGOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-13-5-2-6-15-12(18)10-4-3-9-7-14-8-16-11(9)17-10/h3-4,7-8,13H,2,5-6H2,1H3,(H,15,18).
What are the key properties of N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 157128839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).