N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide

C15H18ClN3OS — CID 81235673

IUPACN-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H18ClN3OS/c1-3-6-17-13-7-10(2)18-9-12(13)15(20)19-8-11-4-5-14(16)21-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFAGPEKBAVJNBDF-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.86
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81235673) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
PubChem CID81235673
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H18ClN3OS/c1-3-6-17-13-7-10(2)18-9-12(13)15(20)19-8-11-4-5-14(16)21-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFAGPEKBAVJNBDF-UHFFFAOYSA-N
XLogP3.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide (CID 81235673) is N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is FAGPEKBAVJNBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-3-6-17-13-7-10(2)18-9-12(13)15(20)19-8-11-4-5-14(16)21-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81235673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).