N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide

C25H30N6O2 — CID 86972569

IUPACN-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)CN(Cc3cccnc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C25H30N6O2/c1-2-31-18-22(16-27-31)28-25(33)21-10-13-29(14-11-21)24(32)19-30(23-8-4-3-5-9-23)17-20-7-6-12-26-15-20/h3-9,12,15-16,18,21H,2,10-11,13-14,17,19H2,1H3,(H,28,33)
InChIKeyZEJVCLGZFMUKRN-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.18
Rot. Bonds8

About N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide (PubChem CID 86972569) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide
PubChem CID86972569
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)CN(Cc3cccnc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C25H30N6O2/c1-2-31-18-22(16-27-31)28-25(33)21-10-13-29(14-11-21)24(32)19-30(23-8-4-3-5-9-23)17-20-7-6-12-26-15-20/h3-9,12,15-16,18,21H,2,10-11,13-14,17,19H2,1H3,(H,28,33)
InChIKeyZEJVCLGZFMUKRN-UHFFFAOYSA-N
XLogP3.18
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354787
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
tert-butyl N-[[1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidin-4-yl]methyl]carbamate
CID 86971786
N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 86882196
1-(1,4-diazepan-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 119418185
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
1-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882217
1-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973540
1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973504
(2R,3R)-2-methyl-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-3-carboxylic acid
CID 122116407
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide
CID 86884569

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide (CID 86972569) is N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)CN(Cc3cccnc3)c3ccccc3)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide?
The InChIKey is ZEJVCLGZFMUKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-2-31-18-22(16-27-31)28-25(33)21-10-13-29(14-11-21)24(32)19-30(23-8-4-3-5-9-23)17-20-7-6-12-26-15-20/h3-9,12,15-16,18,21H,2,10-11,13-14,17,19H2,1H3,(H,28,33).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 86972569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).