N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide

C16H19N5O2 — CID 124985015

IUPACN-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2ccn[nH]2)ccn1
InChIInChI=1S/C16H19N5O2/c1-11(22)19-15-10-12(5-7-17-15)16(23)21-9-3-2-4-14(21)13-6-8-18-20-13/h5-8,10,14H,2-4,9H2,1H3,(H,18,20)(H,17,19,22)/t14-/m0/s1
InChIKeyNOVYWCGXJJBJJE-AWEZNQCLSA-N
MW313.36 g/mol
LogP2.13
Rot. Bonds3

About N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide

N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide (PubChem CID 124985015) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
PubChem CID124985015
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2ccn[nH]2)ccn1
InChIInChI=1S/C16H19N5O2/c1-11(22)19-15-10-12(5-7-17-15)16(23)21-9-3-2-4-14(21)13-6-8-18-20-13/h5-8,10,14H,2-4,9H2,1H3,(H,18,20)(H,17,19,22)/t14-/m0/s1
InChIKeyNOVYWCGXJJBJJE-AWEZNQCLSA-N
XLogP2.13
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide (CID 124985015) is N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2ccn[nH]2)ccn1.
What is the InChIKey of N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The InChIKey is NOVYWCGXJJBJJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11(22)19-15-10-12(5-7-17-15)16(23)21-9-3-2-4-14(21)13-6-8-18-20-13/h5-8,10,14H,2-4,9H2,1H3,(H,18,20)(H,17,19,22)/t14-/m0/s1.
What are the key properties of N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide?
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 124985015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).