5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C15H18ClN3O2 — CID 71972308

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(C)CCN(Cc1ccco1)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C15H18ClN3O2/c1-18(2)7-8-19(11-13-4-3-9-21-13)15(20)14-6-5-12(16)10-17-14/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyYHKBPQFTWQLGNJ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.53
Rot. Bonds6

About 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 71972308) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID71972308
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(C)CCN(Cc1ccco1)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C15H18ClN3O2/c1-18(2)7-8-19(11-13-4-3-9-21-13)15(20)14-6-5-12(16)10-17-14/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyYHKBPQFTWQLGNJ-UHFFFAOYSA-N
XLogP2.53
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914
7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602895
5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 115771489
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 20923882
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 816538
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 71972308) is 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YHKBPQFTWQLGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-18(2)7-8-19(11-13-4-3-9-21-13)15(20)14-6-5-12(16)10-17-14/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71972308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).