N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide

C25H28N4O2S — CID 60556218

IUPACN-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)c3sccc3NC(=O)c3ccncc3)cc2)C1
InChIInChI=1S/C25H28N4O2S/c1-18-3-2-13-29(16-18)17-20-6-4-19(5-7-20)15-27-25(31)23-22(10-14-32-23)28-24(30)21-8-11-26-12-9-21/h4-12,14,18H,2-3,13,15-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyPBLJUUMDEANVFF-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.56
Rot. Bonds7

About N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide

N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 60556218) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
PubChem CID60556218
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)c3sccc3NC(=O)c3ccncc3)cc2)C1
InChIInChI=1S/C25H28N4O2S/c1-18-3-2-13-29(16-18)17-20-6-4-19(5-7-20)15-27-25(31)23-22(10-14-32-23)28-24(30)21-8-11-26-12-9-21/h4-12,14,18H,2-3,13,15-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyPBLJUUMDEANVFF-UHFFFAOYSA-N
XLogP4.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
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4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
2-(2-aminoethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641597
N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94023972
4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24586641
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide (CID 60556218) is N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide is CC1CCCN(Cc2ccc(CNC(=O)c3sccc3NC(=O)c3ccncc3)cc2)C1.
What is the InChIKey of N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is PBLJUUMDEANVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-18-3-2-13-29(16-18)17-20-6-4-19(5-7-20)15-27-25(31)23-22(10-14-32-23)28-24(30)21-8-11-26-12-9-21/h4-12,14,18H,2-3,13,15-17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 60556218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).