N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide

C11H16N4O2 — CID 81243085

IUPACN-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCC(N)=O
InChIInChI=1S/C11H16N4O2/c1-2-14-9-3-5-13-7-8(9)11(17)15-6-4-10(12)16/h3,5,7H,2,4,6H2,1H3,(H2,12,16)(H,13,14)(H,15,17)
InChIKeyIMSQIMLKCSNWJW-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.12
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide

N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81243085) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81243085
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCC(N)=O
InChIInChI=1S/C11H16N4O2/c1-2-14-9-3-5-13-7-8(9)11(17)15-6-4-10(12)16/h3,5,7H,2,4,6H2,1H3,(H2,12,16)(H,13,14)(H,15,17)
InChIKeyIMSQIMLKCSNWJW-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250
N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256347
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 81241199
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide (CID 81243085) is N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is IMSQIMLKCSNWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-14-9-3-5-13-7-8(9)11(17)15-6-4-10(12)16/h3,5,7H,2,4,6H2,1H3,(H2,12,16)(H,13,14)(H,15,17).
What are the key properties of N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide?
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81243085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).