N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide

C16H18N4O2S — CID 97309425

IUPACN-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N[C@@H]2CCCc3sccc32)n1
InChIInChI=1S/C16H18N4O2S/c1-17-15(21)12-5-3-7-14(18-12)20-16(22)19-11-4-2-6-13-10(11)8-9-23-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,17,21)(H2,18,19,20,22)/t11-/m1/s1
InChIKeyUNHPFTBLBLWGEA-LLVKDONJSA-N
MW330.41 g/mol
LogP2.70
Rot. Bonds3

About N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide

N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide (PubChem CID 97309425) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide
PubChem CID97309425
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N[C@@H]2CCCc3sccc32)n1
InChIInChI=1S/C16H18N4O2S/c1-17-15(21)12-5-3-7-14(18-12)20-16(22)19-11-4-2-6-13-10(11)8-9-23-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,17,21)(H2,18,19,20,22)/t11-/m1/s1
InChIKeyUNHPFTBLBLWGEA-LLVKDONJSA-N
XLogP2.70
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide (CID 97309425) is N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide is CNC(=O)c1cccc(NC(=O)N[C@@H]2CCCc3sccc32)n1.
What is the InChIKey of N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide?
The InChIKey is UNHPFTBLBLWGEA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-17-15(21)12-5-3-7-14(18-12)20-16(22)19-11-4-2-6-13-10(11)8-9-23-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,17,21)(H2,18,19,20,22)/t11-/m1/s1.
What are the key properties of N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide?
N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 97309425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).