N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide

C23H21N5O2 — CID 10157758

IUPACN-(2-methoxyethyl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
SMILESCOCCNC(=O)C1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4
InChIInChI=1S/C23H21N5O2/c1-30-13-12-26-23(29)17-7-5-16(6-8-17)21-14-18(9-11-25-21)19-15-27-28-22(19)20-4-2-3-10-24-20/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyUCHFMHWPCIWXIC-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.20
Rot. Bonds7

About N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide

N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide (PubChem CID 10157758) has the molecular formula C23H21N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide
PubChem CID10157758
Molecular FormulaC23H21N5O2
Molecular Weight399.40 g/mol
Exact Mass399.17
IUPAC NameN-(2-methoxyethyl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
SMILESCOCCNC(=O)C1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4
InChIInChI=1S/C23H21N5O2/c1-30-13-12-26-23(29)17-7-5-16(6-8-17)21-14-18(9-11-25-21)19-15-27-28-22(19)20-4-2-3-10-24-20/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyUCHFMHWPCIWXIC-UHFFFAOYSA-N
XLogP2.20
TPSA92.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity540

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide
CID 10202642
OT-82
CID 118203189
3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
US10022354, Example 71
CID 121279677
US10022354, Example 69
CID 121279703
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568496
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
4-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-yl}carbonyl)morpholine
CID 135523936
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide (CID 10157758) is N-(2-methoxyethyl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide is COCCNC(=O)C1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide?
The InChIKey is UCHFMHWPCIWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-30-13-12-26-23(29)17-7-5-16(6-8-17)21-14-18(9-11-25-21)19-15-27-28-22(19)20-4-2-3-10-24-20/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide?
N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide has a molecular weight of 399.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide is sourced from PubChem (CID 10157758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).