N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide

C15H26N4O — CID 62640587

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCN(C)C(C)C)ccn1
InChIInChI=1S/C15H26N4O/c1-5-7-16-14-11-13(6-8-17-14)15(20)18-9-10-19(4)12(2)3/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyIKDYEZPSLBGSGR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.97
Rot. Bonds8

About N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 62640587) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID62640587
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCN(C)C(C)C)ccn1
InChIInChI=1S/C15H26N4O/c1-5-7-16-14-11-13(6-8-17-14)15(20)18-9-10-19(4)12(2)3/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyIKDYEZPSLBGSGR-UHFFFAOYSA-N
XLogP1.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62979979
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 114133340
N-[2-(dimethylamino)-2-methylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62177285
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide (CID 62640587) is N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCN(C)C(C)C)ccn1.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is IKDYEZPSLBGSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-7-16-14-11-13(6-8-17-14)15(20)18-9-10-19(4)12(2)3/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,16,17)(H,18,20).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62640587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).