3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide

C14H21ClN4O2 — CID 62168552

IUPAC3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNC(=O)CNC(=O)c1nc(NCCC)ccc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-3-7-16-11-6-5-10(15)13(19-11)14(21)18-9-12(20)17-8-4-2/h5-6H,3-4,7-9H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyZZLATVGEEHUGBP-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.81
Rot. Bonds8

About 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62168552) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
PubChem CID62168552
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNC(=O)CNC(=O)c1nc(NCCC)ccc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-3-7-16-11-6-5-10(15)13(19-11)14(21)18-9-12(20)17-8-4-2/h5-6H,3-4,7-9H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyZZLATVGEEHUGBP-UHFFFAOYSA-N
XLogP1.81
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
CID 62242207
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 116788007
3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
CID 62174427
3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914367
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
N-(2-bromophenyl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62165496
3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064677
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide (CID 62168552) is 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide is CCCNC(=O)CNC(=O)c1nc(NCCC)ccc1Cl.
What is the InChIKey of 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is ZZLATVGEEHUGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-3-7-16-11-6-5-10(15)13(19-11)14(21)18-9-12(20)17-8-4-2/h5-6H,3-4,7-9H2,1-2H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62168552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).