N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide

C19H19N5O2 — CID 166232226

IUPACN,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1
InChIInChI=1S/C19H19N5O2/c1-24(2)19(26)15-9-8-13(11-20-15)12-21-18(25)17-10-16(22-23-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyJVVTUJBRHSEKQC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.10
Rot. Bonds5

About N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide

N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 166232226) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide
PubChem CID166232226
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1
InChIInChI=1S/C19H19N5O2/c1-24(2)19(26)15-9-8-13(11-20-15)12-21-18(25)17-10-16(22-23-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyJVVTUJBRHSEKQC-UHFFFAOYSA-N
XLogP2.10
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47043334
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 51317105
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
5-hydroxy-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131991761
N-[(4-carbamimidoylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 73052491
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 166183764
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide (CID 166232226) is N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1.
What is the InChIKey of N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is JVVTUJBRHSEKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24(2)19(26)15-9-8-13(11-20-15)12-21-18(25)17-10-16(22-23-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide?
N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 166232226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).