N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide

C16H21N5O — CID 154678473

IUPACN-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)N(C)c1ccc(C2CCN(c3cn[nH]c3)CC2)cn1
InChIInChI=1S/C16H21N5O/c1-12(22)20(2)16-4-3-14(9-17-16)13-5-7-21(8-6-13)15-10-18-19-11-15/h3-4,9-11,13H,5-8H2,1-2H3,(H,18,19)
InChIKeyFKVJWLYUERVJBP-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.17
Rot. Bonds3

About N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide

N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide (PubChem CID 154678473) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide
PubChem CID154678473
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)N(C)c1ccc(C2CCN(c3cn[nH]c3)CC2)cn1
InChIInChI=1S/C16H21N5O/c1-12(22)20(2)16-4-3-14(9-17-16)13-5-7-21(8-6-13)15-10-18-19-11-15/h3-4,9-11,13H,5-8H2,1-2H3,(H,18,19)
InChIKeyFKVJWLYUERVJBP-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine
CID 154678488
N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136528477
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
[3-[6-[(5-cyclopropyl-2-pyridinyl)-methylamino]-3-pyridinyl]azetidin-1-yl]-[(3S)-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 175975470
4-cyclopropyl-N-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 154852891
5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053457
1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
CID 154678453
4-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 127813854
[3-[6-(N-methylanilino)-3-pyridinyl]azetidin-1-yl]-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 175975134
N-methyl-N-[5-(methylamino)-2-pyridinyl]acetamide
CID 59594510
[4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate
CID 174358694

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide (CID 154678473) is N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide is CC(=O)N(C)c1ccc(C2CCN(c3cn[nH]c3)CC2)cn1.
What is the InChIKey of N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide?
The InChIKey is FKVJWLYUERVJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(22)20(2)16-4-3-14(9-17-16)13-5-7-21(8-6-13)15-10-18-19-11-15/h3-4,9-11,13H,5-8H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide?
N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide has a molecular weight of 299.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 154678473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).