N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide

C24H28N6O2 — CID 173481026

IUPACN-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide
SMILES[H]/N=C(\NC(=O)c1cnn(C2CCNCC2)c1)c1cc(OCc2ccccc2)ccc1NC
InChIInChI=1S/C24H28N6O2/c1-26-22-8-7-20(32-16-17-5-3-2-4-6-17)13-21(22)23(25)29-24(31)18-14-28-30(15-18)19-9-11-27-12-10-19/h2-8,13-15,19,26-27H,9-12,16H2,1H3,(H2,25,29,31)
InChIKeyGKQCLXAAMNJBGR-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide

N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 173481026) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID173481026
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide
SMILES[H]/N=C(\NC(=O)c1cnn(C2CCNCC2)c1)c1cc(OCc2ccccc2)ccc1NC
InChIInChI=1S/C24H28N6O2/c1-26-22-8-7-20(32-16-17-5-3-2-4-6-17)13-21(22)23(25)29-24(31)18-14-28-30(15-18)19-9-11-27-12-10-19/h2-8,13-15,19,26-27H,9-12,16H2,1H3,(H2,25,29,31)
InChIKeyGKQCLXAAMNJBGR-UHFFFAOYSA-N
XLogP3.18
TPSA104.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride
CID 163407511
[4-(phenoxymethyl)phenyl]-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 122183116
N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119726785
4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine
CID 163407517
4-[(3,5-difluorophenyl)methoxy]-2-[1-(1,1-dioxothian-4-yl)pyrazole-4-carboximidoyl]aniline
CID 164565657
tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
CID 143063494
3-(methylsulfonylmethyl)-N-[4-(phenoxymethyl)benzenecarboximidoyl]benzamide
CID 136519134
ethane;4-phenylmethoxyphthalic acid
CID 90802135
N-methyl-4-phenylmethoxybenzamide
CID 2996745
(E)-1-(1-methylpyrazol-4-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19543215
methyl N-[4-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]benzenecarboximidoyl]carbamate
CID 149436505
3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 175975741

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide (CID 173481026) is N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide is [H]/N=C(\NC(=O)c1cnn(C2CCNCC2)c1)c1cc(OCc2ccccc2)ccc1NC.
What is the InChIKey of N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is GKQCLXAAMNJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-26-22-8-7-20(32-16-17-5-3-2-4-6-17)13-21(22)23(25)29-24(31)18-14-28-30(15-18)19-9-11-27-12-10-19/h2-8,13-15,19,26-27H,9-12,16H2,1H3,(H2,25,29,31).
What are the key properties of N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide?
N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 173481026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).