N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

C20H25N5O2 — CID 50980552

IUPACN-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-15(26)22-18-4-3-5-19(12-18)23-20(27)8-11-25-9-6-16(7-10-25)17-13-21-24(2)14-17/h3-6,12-14H,7-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyDIGGUJFTRMQCEJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.50
Rot. Bonds6

About N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 50980552) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID50980552
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-15(26)22-18-4-3-5-19(12-18)23-20(27)8-11-25-9-6-16(7-10-25)17-13-21-24(2)14-17/h3-6,12-14H,7-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyDIGGUJFTRMQCEJ-UHFFFAOYSA-N
XLogP2.50
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
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N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
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N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
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ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate
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N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
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N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 50980552) is N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is CC(=O)Nc1cccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is DIGGUJFTRMQCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15(26)22-18-4-3-5-19(12-18)23-20(27)8-11-25-9-6-16(7-10-25)17-13-21-24(2)14-17/h3-6,12-14H,7-11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 50980552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).