N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide

C16H21N5O — CID 136528477

IUPACN,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCC(c3cn[nH]c3)CC2)ccn1
InChIInChI=1S/C16H21N5O/c1-20(2)16(22)15-9-14(3-6-17-15)21-7-4-12(5-8-21)13-10-18-19-11-13/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeyLXFDTHGCMIXIDJ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.89
Rot. Bonds3

About N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide

N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 136528477) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID136528477
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCC(c3cn[nH]c3)CC2)ccn1
InChIInChI=1S/C16H21N5O/c1-20(2)16(22)15-9-14(3-6-17-15)21-7-4-12(5-8-21)13-10-18-19-11-13/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeyLXFDTHGCMIXIDJ-UHFFFAOYSA-N
XLogP1.89
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
CID 62917818
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 62063610
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469
N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide
CID 154678473
4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 63344096
N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 146640883
N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
CID 136524869
N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
CID 54897544
N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773430
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776
N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 56912622

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide (CID 136528477) is N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide is CN(C)C(=O)c1cc(N2CCC(c3cn[nH]c3)CC2)ccn1.
What is the InChIKey of N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is LXFDTHGCMIXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20(2)16(22)15-9-14(3-6-17-15)21-7-4-12(5-8-21)13-10-18-19-11-13/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide?
N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 136528477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).