4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide

C22H31N3O — CID 109217244

IUPAC4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(N(Cc2ccccc2)C(C)C)ccn1
InChIInChI=1S/C22H31N3O/c1-5-14-24(15-6-2)22(26)21-16-20(12-13-23-21)25(18(3)4)17-19-10-8-7-9-11-19/h7-13,16,18H,5-6,14-15,17H2,1-4H3
InChIKeyMLZRHUOBHXFLJN-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.76
Rot. Bonds9

About 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide

4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109217244) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
PubChem CID109217244
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(N(Cc2ccccc2)C(C)C)ccn1
InChIInChI=1S/C22H31N3O/c1-5-14-24(15-6-2)22(26)21-16-20(12-13-23-21)25(18(3)4)17-19-10-8-7-9-11-19/h7-13,16,18H,5-6,14-15,17H2,1-4H3
InChIKeyMLZRHUOBHXFLJN-UHFFFAOYSA-N
XLogP4.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
CID 109239734
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109217259
[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]methanol
CID 61254549
[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213766
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109214742
4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 61147660
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide (CID 109217244) is 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(N(Cc2ccccc2)C(C)C)ccn1.
What is the InChIKey of 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is MLZRHUOBHXFLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-14-24(15-6-2)22(26)21-16-20(12-13-23-21)25(18(3)4)17-19-10-8-7-9-11-19/h7-13,16,18H,5-6,14-15,17H2,1-4H3.
What are the key properties of 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide?
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109217244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).