N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide

C13H22N4O — CID 55101029

IUPACN-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
SMILESCCCNCCNc1ccnc(C(=O)NCC)c1
InChIInChI=1S/C13H22N4O/c1-3-6-14-8-9-16-11-5-7-17-12(10-11)13(18)15-4-2/h5,7,10,14H,3-4,6,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOPBQSDPWNXAFOH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.24
Rot. Bonds8

About N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide

N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide (PubChem CID 55101029) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
PubChem CID55101029
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
SMILESCCCNCCNc1ccnc(C(=O)NCC)c1
InChIInChI=1S/C13H22N4O/c1-3-6-14-8-9-16-11-5-7-17-12(10-11)13(18)15-4-2/h5,7,10,14H,3-4,6,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOPBQSDPWNXAFOH-UHFFFAOYSA-N
XLogP1.24
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.24
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

N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
4-(ethylamino)-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 55046976
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 106342591
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 62168705
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carboxamide
CID 79358278
4-[2-[cyclopropyl(ethyl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 103739556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide (CID 55101029) is N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide is CCCNCCNc1ccnc(C(=O)NCC)c1.
What is the InChIKey of N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide?
The InChIKey is OPBQSDPWNXAFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-6-14-8-9-16-11-5-7-17-12(10-11)13(18)15-4-2/h5,7,10,14H,3-4,6,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide?
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 55101029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).