N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide

C12H15N5O — CID 54897544

IUPACN,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2cn[nH]c2)ccn1
InChIInChI=1S/C12H15N5O/c1-17(2)12(18)11-5-10(3-4-13-11)14-6-9-7-15-16-8-9/h3-5,7-8H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHZRRTACVCQXUGJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.12
Rot. Bonds4

About N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide

N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 54897544) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID54897544
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2cn[nH]c2)ccn1
InChIInChI=1S/C12H15N5O/c1-17(2)12(18)11-5-10(3-4-13-11)14-6-9-7-15-16-8-9/h3-5,7-8H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHZRRTACVCQXUGJ-UHFFFAOYSA-N
XLogP1.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 107232295
N,N-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridine-2-carboxamide
CID 61348905
N,N-dimethyl-4-[(4-methyl-3-pyridinyl)methylamino]pyridine-2-carboxamide
CID 114956582
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 63295796
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
CID 63281075
4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 65243446
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide (CID 54897544) is N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide is CN(C)C(=O)c1cc(NCc2cn[nH]c2)ccn1.
What is the InChIKey of N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is HZRRTACVCQXUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17(2)12(18)11-5-10(3-4-13-11)14-6-9-7-15-16-8-9/h3-5,7-8H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide?
N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54897544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).