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

C20H26N4O2 — CID 50968220

IUPACN-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c(C)c1
InChIInChI=1S/C20H26N4O2/c1-15-12-18(26-3)4-5-19(15)22-20(25)8-11-24-9-6-16(7-10-24)17-13-21-23(2)14-17/h4-6,12-14H,7-11H2,1-3H3,(H,22,25)
InChIKeyUSPYICMMKJBIRE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.86
Rot. Bonds6

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

N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 50968220) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID50968220
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c(C)c1
InChIInChI=1S/C20H26N4O2/c1-15-12-18(26-3)4-5-19(15)22-20(25)8-11-24-9-6-16(7-10-24)17-13-21-23(2)14-17/h4-6,12-14H,7-11H2,1-3H3,(H,22,25)
InChIKeyUSPYICMMKJBIRE-UHFFFAOYSA-N
XLogP2.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 50968220) is N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is COc1ccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is USPYICMMKJBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-12-18(26-3)4-5-19(15)22-20(25)8-11-24-9-6-16(7-10-24)17-13-21-23(2)14-17/h4-6,12-14H,7-11H2,1-3H3,(H,22,25).
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 50968220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).