N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide

C13H17N5O — CID 104640906

IUPACN-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)N(C)Cc2cnn(C)c2)nc1
InChIInChI=1S/C13H17N5O/c1-14-11-4-5-12(15-7-11)13(19)17(2)8-10-6-16-18(3)9-10/h4-7,9,14H,8H2,1-3H3
InChIKeyKWQJKILWKRJQIF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide

N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 104640906) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID104640906
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)N(C)Cc2cnn(C)c2)nc1
InChIInChI=1S/C13H17N5O/c1-14-11-4-5-12(15-7-11)13(19)17(2)8-10-6-16-18(3)9-10/h4-7,9,14H,8H2,1-3H3
InChIKeyKWQJKILWKRJQIF-UHFFFAOYSA-N
XLogP1.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 77005131
2-anilino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31848474
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19623624
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
N-methyl-5-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 113436189
3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 47041053
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104639804
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62789282
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441333

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide (CID 104640906) is N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide is CNc1ccc(C(=O)N(C)Cc2cnn(C)c2)nc1.
What is the InChIKey of N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is KWQJKILWKRJQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-14-11-4-5-12(15-7-11)13(19)17(2)8-10-6-16-18(3)9-10/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 104640906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).