2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide

C14H22N4O2 — CID 62178636

IUPAC2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cccnc1NCC
InChIInChI=1S/C14H22N4O2/c1-3-8-16-12(19)7-10-18-14(20)11-6-5-9-17-13(11)15-4-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)(H,16,19)(H,18,20)
InChIKeyAPFMFSWRKDBOQW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.16
Rot. Bonds8

About 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide

2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide (PubChem CID 62178636) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
PubChem CID62178636
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cccnc1NCC
InChIInChI=1S/C14H22N4O2/c1-3-8-16-12(19)7-10-18-14(20)11-6-5-9-17-13(11)15-4-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)(H,16,19)(H,18,20)
InChIKeyAPFMFSWRKDBOQW-UHFFFAOYSA-N
XLogP1.16
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
2-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 62168328
2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522135
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62978746
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522
2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 63824011

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide (CID 62178636) is 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide is CCCNC(=O)CCNC(=O)c1cccnc1NCC.
What is the InChIKey of 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide?
The InChIKey is APFMFSWRKDBOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-8-16-12(19)7-10-18-14(20)11-6-5-9-17-13(11)15-4-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)(H,16,19)(H,18,20).
What are the key properties of 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide?
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 62178636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).