N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C19H27Cl2N5O2 — CID 172910581

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCCn1cc(Cl)cn1.Cl
InChIInChI=1S/C19H26ClN5O2.ClH/c1-14-5-9-24(12-15-4-2-6-21-10-15)19(27)17(14)18(26)22-7-3-8-25-13-16(20)11-23-25;/h5,9,11,13,15,21H,2-4,6-8,10,12H2,1H3,(H,22,26);1H
InChIKeySMRAKVDPKGIQMW-UHFFFAOYSA-N
MW428.36 g/mol
LogP2.25
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 172910581) has the molecular formula C19H27Cl2N5O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID172910581
Molecular FormulaC19H27Cl2N5O2
Molecular Weight428.36 g/mol
Exact Mass427.15
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCCn1cc(Cl)cn1.Cl
InChIInChI=1S/C19H26ClN5O2.ClH/c1-14-5-9-24(12-15-4-2-6-21-10-15)19(27)17(14)18(26)22-7-3-8-25-13-16(20)11-23-25;/h5,9,11,13,15,21H,2-4,6-8,10,12H2,1H3,(H,22,26);1H
InChIKeySMRAKVDPKGIQMW-UHFFFAOYSA-N
XLogP2.25
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911176
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658238
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
4-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172673386
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664100
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666932
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172668125
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 172673540

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 172910581) is N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCCn1cc(Cl)cn1.Cl.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is SMRAKVDPKGIQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O2.ClH/c1-14-5-9-24(12-15-4-2-6-21-10-15)19(27)17(14)18(26)22-7-3-8-25-13-16(20)11-23-25;/h5,9,11,13,15,21H,2-4,6-8,10,12H2,1H3,(H,22,26);1H.
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 428.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172910581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).