5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

C24H28N4O — CID 109192863

IUPAC5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)N(C)CCc2ccncc2)nc1
InChIInChI=1S/C24H28N4O/c1-19(2)28(18-21-7-5-4-6-8-21)22-9-10-23(26-17-22)24(29)27(3)16-13-20-11-14-25-15-12-20/h4-12,14-15,17,19H,13,16,18H2,1-3H3
InChIKeyXRQOYMOJOGVFIT-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.21
Rot. Bonds8

About 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109192863) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109192863
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)N(C)CCc2ccncc2)nc1
InChIInChI=1S/C24H28N4O/c1-19(2)28(18-21-7-5-4-6-8-21)22-9-10-23(26-17-22)24(29)27(3)16-13-20-11-14-25-15-12-20/h4-12,14-15,17,19H,13,16,18H2,1-3H3
InChIKeyXRQOYMOJOGVFIT-UHFFFAOYSA-N
XLogP4.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109181625
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889
5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181465
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179910
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711
5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192922

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 109192863) is 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is CC(C)N(Cc1ccccc1)c1ccc(C(=O)N(C)CCc2ccncc2)nc1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is XRQOYMOJOGVFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-19(2)28(18-21-7-5-4-6-8-21)22-9-10-23(26-17-22)24(29)27(3)16-13-20-11-14-25-15-12-20/h4-12,14-15,17,19H,13,16,18H2,1-3H3.
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109192863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).