2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide

C19H24ClN3O — CID 109170952

IUPAC2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H24ClN3O/c1-3-11-23(12-4-2)19(24)16-9-10-21-18(13-16)22-14-15-5-7-17(20)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,22)
InChIKeyRZNYCBTWEZGRBD-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.61
Rot. Bonds8

About 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide (PubChem CID 109170952) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide
PubChem CID109170952
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H24ClN3O/c1-3-11-23(12-4-2)19(24)16-9-10-21-18(13-16)22-14-15-5-7-17(20)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,22)
InChIKeyRZNYCBTWEZGRBD-UHFFFAOYSA-N
XLogP4.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109086759
2-(ethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 62167745
2-(1,3-benzodioxol-5-ylmethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 109171441
2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109170941
4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109170970
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide
CID 109175877
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide (CID 109170952) is 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide?
The InChIKey is RZNYCBTWEZGRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-3-11-23(12-4-2)19(24)16-9-10-21-18(13-16)22-14-15-5-7-17(20)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,22).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide has a molecular weight of 345.87 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide is sourced from PubChem (CID 109170952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).