4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide

C17H29N3O — CID 81237438

IUPAC4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29N3O/c1-8-18-14-9-12(2)19-10-13(14)15(21)20-17(6,7)11-16(3,4)5/h9-10H,8,11H2,1-7H3,(H,18,19)(H,20,21)
InChIKeyPFKOPVFPRCTBCI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.77
Rot. Bonds5

About 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide

4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide (PubChem CID 81237438) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
PubChem CID81237438
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29N3O/c1-8-18-14-9-12(2)19-10-13(14)15(21)20-17(6,7)11-16(3,4)5/h9-10H,8,11H2,1-7H3,(H,18,19)(H,20,21)
InChIKeyPFKOPVFPRCTBCI-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-6-methyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 81255811
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 83114995
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 106280158
N-(2,6-dimethylphenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81237854
4-(ethylamino)-6-methyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 81236954
4-(ethylamino)-6-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 81240001
4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522163
4-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 81238640
4-(ethylamino)-6-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104765505
4-(ethylamino)-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 81235846
4-(ethylamino)-6-methyl-N,N-dipropylpyridine-3-carboxamide
CID 81235841

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide (CID 81237438) is 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide is CCNc1cc(C)ncc1C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The InChIKey is PFKOPVFPRCTBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-8-18-14-9-12(2)19-10-13(14)15(21)20-17(6,7)11-16(3,4)5/h9-10H,8,11H2,1-7H3,(H,18,19)(H,20,21).
What are the key properties of 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81237438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).