N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

C19H21N5O — CID 110429479

IUPACN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(NC(=O)c2cccnc2)c2nccn2C)cc1
InChIInChI=1S/C19H21N5O/c1-23(2)16-8-6-14(7-9-16)17(18-21-11-12-24(18)3)22-19(25)15-5-4-10-20-13-15/h4-13,17H,1-3H3,(H,22,25)
InChIKeyHNWBWRGCJXFRSV-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.40
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 110429479) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID110429479
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(NC(=O)c2cccnc2)c2nccn2C)cc1
InChIInChI=1S/C19H21N5O/c1-23(2)16-8-6-14(7-9-16)17(18-21-11-12-24(18)3)22-19(25)15-5-4-10-20-13-15/h4-13,17H,1-3H3,(H,22,25)
InChIKeyHNWBWRGCJXFRSV-UHFFFAOYSA-N
XLogP2.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 110429573
4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
CID 110429568
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide
CID 110429514
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 99928466
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
butyl N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]carbamate
CID 110429456
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 110429479) is N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is CN(C)c1ccc(C(NC(=O)c2cccnc2)c2nccn2C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is HNWBWRGCJXFRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23(2)16-8-6-14(7-9-16)17(18-21-11-12-24(18)3)22-19(25)15-5-4-10-20-13-15/h4-13,17H,1-3H3,(H,22,25).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110429479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).