N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

C22H25N5O — CID 109159164

IUPACN-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(N(C)CCc3ccncc3)nc2)cc1
InChIInChI=1S/C22H25N5O/c1-26(2)20-7-5-19(6-8-20)25-22(28)18-4-9-21(24-16-18)27(3)15-12-17-10-13-23-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,25,28)
InChIKeyOFQKFJVXXBWXRQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.47
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (PubChem CID 109159164) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
PubChem CID109159164
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(N(C)CCc3ccncc3)nc2)cc1
InChIInChI=1S/C22H25N5O/c1-26(2)20-7-5-19(6-8-20)25-22(28)18-4-9-21(24-16-18)27(3)15-12-17-10-13-23-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,25,28)
InChIKeyOFQKFJVXXBWXRQ-UHFFFAOYSA-N
XLogP3.47
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]pyridine-3-carboxamide
CID 113013535
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
N-(2-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159133
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109153874
N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113013536
3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013512
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707
2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013518
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (CID 109159164) is N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(N(C)CCc3ccncc3)nc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The InChIKey is OFQKFJVXXBWXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(2)20-7-5-19(6-8-20)25-22(28)18-4-9-21(24-16-18)27(3)15-12-17-10-13-23-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109159164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).