2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide

C11H16N4O2 — CID 119431033

IUPAC2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
SMILESCNCCCNC(=O)c1ccc(C(N)=O)cn1
InChIInChI=1S/C11H16N4O2/c1-13-5-2-6-14-11(17)9-4-3-8(7-15-9)10(12)16/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16)(H,14,17)
InChIKeyVWTNLWIEIOZMJM-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.48
Rot. Bonds6

About 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide

2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide (PubChem CID 119431033) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
PubChem CID119431033
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
SMILESCNCCCNC(=O)c1ccc(C(N)=O)cn1
InChIInChI=1S/C11H16N4O2/c1-13-5-2-6-14-11(17)9-4-3-8(7-15-9)10(12)16/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16)(H,14,17)
InChIKeyVWTNLWIEIOZMJM-UHFFFAOYSA-N
XLogP-0.48
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-amino-2-methylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 119627358
5-carbamothioyl-N-(7-methyloctyl)pyridine-2-carboxamide
CID 107815227
5-carbamothioyl-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 63748322
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253750
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
N-[3-(methylamino)propyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 157128839
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide (CID 119431033) is 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide is CNCCCNC(=O)c1ccc(C(N)=O)cn1.
What is the InChIKey of 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide?
The InChIKey is VWTNLWIEIOZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-13-5-2-6-14-11(17)9-4-3-8(7-15-9)10(12)16/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16)(H,14,17).
What are the key properties of 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide?
2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide has a molecular weight of 236.28 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 119431033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).