5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide

C19H20ClN5O2 — CID 120645092

IUPAC5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H20ClN5O2/c1-25-19(22-17(24-25)12-8-10-21-11-9-12)23-18(26)16-7-6-15(27-16)13-4-2-3-5-14(13)20/h2-7,12,21H,8-11H2,1H3,(H,22,23,24,26)
InChIKeyFBGADWPBBFVLCB-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.45
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide (PubChem CID 120645092) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
PubChem CID120645092
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H20ClN5O2/c1-25-19(22-17(24-25)12-8-10-21-11-9-12)23-18(26)16-7-6-15(27-16)13-4-2-3-5-14(13)20/h2-7,12,21H,8-11H2,1H3,(H,22,23,24,26)
InChIKeyFBGADWPBBFVLCB-UHFFFAOYSA-N
XLogP3.45
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120644464
5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120642483
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120643916
5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120643491
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120644407
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120644546
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
CID 120641846
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide (CID 120645092) is 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide is Cn1nc(C2CCNCC2)nc1NC(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The InChIKey is FBGADWPBBFVLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-25-19(22-17(24-25)12-8-10-21-11-9-12)23-18(26)16-7-6-15(27-16)13-4-2-3-5-14(13)20/h2-7,12,21H,8-11H2,1H3,(H,22,23,24,26).
What are the key properties of 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 120645092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).