N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

C22H25N5O — CID 109237137

IUPACN-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cncc(N(C)CCc3ccncc3)c2)cc1
InChIInChI=1S/C22H25N5O/c1-26(2)20-6-4-19(5-7-20)25-22(28)18-14-21(16-24-15-18)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16H,10,13H2,1-3H3,(H,25,28)
InChIKeyVCZOPUTZNNMSBC-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.47
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (PubChem CID 109237137) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
PubChem CID109237137
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cncc(N(C)CCc3ccncc3)c2)cc1
InChIInChI=1S/C22H25N5O/c1-26(2)20-6-4-19(5-7-20)25-22(28)18-14-21(16-24-15-18)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16H,10,13H2,1-3H3,(H,25,28)
InChIKeyVCZOPUTZNNMSBC-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-(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
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109237100
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164
N-(2-ethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237095
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081
N-(2-methylpropyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224772
N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
methyl 2-[[5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109237134
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (CID 109237137) is N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2cncc(N(C)CCc3ccncc3)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The InChIKey is VCZOPUTZNNMSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(2)20-6-4-19(5-7-20)25-22(28)18-14-21(16-24-15-18)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16H,10,13H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-[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]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109237137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).