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

C20H26N4O — CID 50951348

IUPACN-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCCc1cccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-3-16-5-4-6-19(13-16)22-20(25)9-12-24-10-7-17(8-11-24)18-14-21-23(2)15-18/h4-7,13-15H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyKGYAHEXRSJMXON-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.10
Rot. Bonds6

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

N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 50951348) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID50951348
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCCc1cccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-3-16-5-4-6-19(13-16)22-20(25)9-12-24-10-7-17(8-11-24)18-14-21-23(2)15-18/h4-7,13-15H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyKGYAHEXRSJMXON-UHFFFAOYSA-N
XLogP3.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 50951348) is N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is CCc1cccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is KGYAHEXRSJMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-16-5-4-6-19(13-16)22-20(25)9-12-24-10-7-17(8-11-24)18-14-21-23(2)15-18/h4-7,13-15H,3,8-12H2,1-2H3,(H,22,25).
What are the key properties of N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 50951348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).