5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide

C24H27N3O2 — CID 109195480

IUPAC5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C24H27N3O2/c1-4-29-23-13-9-8-12-21(23)26-24(28)22-15-14-20(16-25-22)27(18(2)3)17-19-10-6-5-7-11-19/h5-16,18H,4,17H2,1-3H3,(H,26,28)
InChIKeyCIFOTKBTFKCTKP-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.15
Rot. Bonds8

About 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109195480) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109195480
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C24H27N3O2/c1-4-29-23-13-9-8-12-21(23)26-24(28)22-15-14-20(16-25-22)27(18(2)3)17-19-10-6-5-7-11-19/h5-16,18H,4,17H2,1-3H3,(H,26,28)
InChIKeyCIFOTKBTFKCTKP-UHFFFAOYSA-N
XLogP5.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478
5-[butyl(methyl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109196077
5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109287739
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109273434
N-(2-ethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191680
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
CID 109190861
4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109217259
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846437

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide (CID 109195480) is 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is CIFOTKBTFKCTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-29-23-13-9-8-12-21(23)26-24(28)22-15-14-20(16-25-22)27(18(2)3)17-19-10-6-5-7-11-19/h5-16,18H,4,17H2,1-3H3,(H,26,28).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).