N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide

C16H27N3O — CID 81240030

IUPACN-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cnccc1NCC)C(C)CC
InChIInChI=1S/C16H27N3O/c1-5-8-11-19(13(4)6-2)16(20)14-12-17-10-9-15(14)18-7-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,17,18)
InChIKeyLHEZZOYSLDUZRF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds8

About N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide

N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81240030) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81240030
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cnccc1NCC)C(C)CC
InChIInChI=1S/C16H27N3O/c1-5-8-11-19(13(4)6-2)16(20)14-12-17-10-9-15(14)18-7-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,17,18)
InChIKeyLHEZZOYSLDUZRF-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-cyclopropyl-4-(ethylamino)pyridine-3-carboxamide
CID 81242322
4-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81240413
4-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81255743
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 114238290
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
N-(cyclopropylmethyl)-4-(ethylamino)-N-propylpyridine-3-carboxamide
CID 81242615
N-butan-2-yl-N-butyl-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256224
4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281
4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327
N-butan-2-yl-N-butyl-6-(ethylamino)pyridine-2-carboxamide
CID 62234511
N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide
CID 62176971

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide (CID 81240030) is N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide is CCCCN(C(=O)c1cnccc1NCC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is LHEZZOYSLDUZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-8-11-19(13(4)6-2)16(20)14-12-17-10-9-15(14)18-7-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,17,18).
What are the key properties of N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide?
N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81240030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).