2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide

C11H16N4O2 — CID 62175030

IUPAC2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccnc(NC)c1
InChIInChI=1S/C11H16N4O2/c1-12-9-7-8(3-5-14-9)11(17)15-6-4-10(16)13-2/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,13,16)(H,15,17)
InChIKeyPGJBRQCRYUAQRY-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.01
Rot. Bonds5

About 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide

2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide (PubChem CID 62175030) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
PubChem CID62175030
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccnc(NC)c1
InChIInChI=1S/C11H16N4O2/c1-12-9-7-8(3-5-14-9)11(17)15-6-4-10(16)13-2/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,13,16)(H,15,17)
InChIKeyPGJBRQCRYUAQRY-UHFFFAOYSA-N
XLogP-0.01
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 62185207
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 55046580
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide (CID 62175030) is 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide is CNC(=O)CCNC(=O)c1ccnc(NC)c1.
What is the InChIKey of 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The InChIKey is PGJBRQCRYUAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-9-7-8(3-5-14-9)11(17)15-6-4-10(16)13-2/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,13,16)(H,15,17).
What are the key properties of 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide has a molecular weight of 236.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 62175030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).