N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide

C19H22ClN3OS — CID 55756311

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H22ClN3OS/c1-2-11-23(14-15-8-9-17(20)25-15)19(24)16-7-6-10-21-18(16)22-12-4-3-5-13-22/h2,6-10H,1,3-5,11-14H2
InChIKeyWPESBJPJKJBXRK-UHFFFAOYSA-N
MW375.93 g/mol
LogP4.62
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 55756311) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide
PubChem CID55756311
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H22ClN3OS/c1-2-11-23(14-15-8-9-17(20)25-15)19(24)16-7-6-10-21-18(16)22-12-4-3-5-13-22/h2,6-10H,1,3-5,11-14H2
InChIKeyWPESBJPJKJBXRK-UHFFFAOYSA-N
XLogP4.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 60646068
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide
CID 66482946
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35611700
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbenzamide
CID 107982446
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 62045486
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide
CID 55488341
4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672288
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
CID 60646137
N-[(5-chlorothiophen-2-yl)methyl]-6-fluoro-N-prop-2-enylpyridine-3-carboxamide
CID 63973559
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-prop-2-enylbenzamide
CID 81109883

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide (CID 55756311) is N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide is C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1N1CCCCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is WPESBJPJKJBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS/c1-2-11-23(14-15-8-9-17(20)25-15)19(24)16-7-6-10-21-18(16)22-12-4-3-5-13-22/h2,6-10H,1,3-5,11-14H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 375.93 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 55756311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).