3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide

C17H21N3O — CID 105069426

IUPAC3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)14-6-4-13(5-7-14)10-20-17(21)15-8-9-19-11-16(15)18-3/h4-9,11-12,18H,10H2,1-3H3,(H,20,21)
InChIKeyNGWLBUHUGPGWAI-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.18
Rot. Bonds5

About 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide

3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 105069426) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
PubChem CID105069426
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)14-6-4-13(5-7-14)10-20-17(21)15-8-9-19-11-16(15)18-3/h4-9,11-12,18H,10H2,1-3H3,(H,20,21)
InChIKeyNGWLBUHUGPGWAI-UHFFFAOYSA-N
XLogP3.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105070238
3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
CID 105069816
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070736
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070606
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 105070730

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide (CID 105069426) is 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide is CNc1cnccc1C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is NGWLBUHUGPGWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)14-6-4-13(5-7-14)10-20-17(21)15-8-9-19-11-16(15)18-3/h4-9,11-12,18H,10H2,1-3H3,(H,20,21).
What are the key properties of 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide?
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105069426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).