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

C19H23ClN4O — CID 50970980

IUPACN-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCn1cc(C2=CCN(CCC(=O)NCc3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H23ClN4O/c1-23-14-17(13-22-23)16-6-9-24(10-7-16)11-8-19(25)21-12-15-2-4-18(20)5-3-15/h2-6,13-14H,7-12H2,1H3,(H,21,25)
InChIKeyNMIOKSJSLWUKMZ-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.87
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 50970980) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID50970980
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCn1cc(C2=CCN(CCC(=O)NCc3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H23ClN4O/c1-23-14-17(13-22-23)16-6-9-24(10-7-16)11-8-19(25)21-12-15-2-4-18(20)5-3-15/h2-6,13-14H,7-12H2,1H3,(H,21,25)
InChIKeyNMIOKSJSLWUKMZ-UHFFFAOYSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 50970980) is N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is Cn1cc(C2=CCN(CCC(=O)NCc3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is NMIOKSJSLWUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-23-14-17(13-22-23)16-6-9-24(10-7-16)11-8-19(25)21-12-15-2-4-18(20)5-3-15/h2-6,13-14H,7-12H2,1H3,(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 358.87 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 50970980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).