4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide

C21H21N3OS — CID 69071958

IUPAC4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide
SMILESNC(c1ccc(C(=O)Nc2ccncc2)cc1-c1cccs1)C1CCC1
InChIInChI=1S/C21H21N3OS/c22-20(14-3-1-4-14)17-7-6-15(13-18(17)19-5-2-12-26-19)21(25)24-16-8-10-23-11-9-16/h2,5-14,20H,1,3-4,22H2,(H,23,24,25)
InChIKeyQXGFYGFUPOTOQC-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.86
Rot. Bonds5

About 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide

4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide (PubChem CID 69071958) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide.

Molecular Properties

Compound Name4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide
PubChem CID69071958
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide
SMILESNC(c1ccc(C(=O)Nc2ccncc2)cc1-c1cccs1)C1CCC1
InChIInChI=1S/C21H21N3OS/c22-20(14-3-1-4-14)17-7-6-15(13-18(17)19-5-2-12-26-19)21(25)24-16-8-10-23-11-9-16/h2,5-14,20H,1,3-4,22H2,(H,23,24,25)
InChIKeyQXGFYGFUPOTOQC-UHFFFAOYSA-N
XLogP4.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide
CID 16666141
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
4-[amino-[1-(2-methyl-2-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537559
5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 11323111
(5R)-5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 69046909
4-(1-aminoethyl)-3-(phenylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 16665979
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538066
4-(1-aminoethyl)-3-(phenylcarbamothioylamino)-N-pyridin-4-ylbenzamide
CID 16665978

Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide?
The IUPAC name of 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide (CID 69071958) is 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide.
What is the SMILES notation for 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide?
The canonical SMILES for 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide is NC(c1ccc(C(=O)Nc2ccncc2)cc1-c1cccs1)C1CCC1.
What is the InChIKey of 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide?
The InChIKey is QXGFYGFUPOTOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c22-20(14-3-1-4-14)17-7-6-15(13-18(17)19-5-2-12-26-19)21(25)24-16-8-10-23-11-9-16/h2,5-14,20H,1,3-4,22H2,(H,23,24,25).
What are the key properties of 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide?
4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide has a molecular weight of 363.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclobutyl)methyl]-N-pyridin-4-yl-3-thiophen-2-ylbenzamide is sourced from PubChem (CID 69071958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).