5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide

C22H23N5O2S — CID 78885519

IUPAC5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C22H23N5O2S/c28-21(24-17-11-14-27(15-12-17)19-8-4-5-13-23-19)18-9-10-20(30-18)26-22(29)25-16-6-2-1-3-7-16/h1-10,13,17H,11-12,14-15H2,(H,24,28)(H2,25,26,29)
InChIKeyHCZOJNXERZCFKD-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.19
Rot. Bonds5

About 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide

5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 78885519) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID78885519
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C22H23N5O2S/c28-21(24-17-11-14-27(15-12-17)19-8-4-5-13-23-19)18-9-10-20(30-18)26-22(29)25-16-6-2-1-3-7-16/h1-10,13,17H,11-12,14-15H2,(H,24,28)(H2,25,26,29)
InChIKeyHCZOJNXERZCFKD-UHFFFAOYSA-N
XLogP4.19
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119387776
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 78890544
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
1-phenyl-3-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]urea
CID 78846884
3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60779524
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 127300730
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862

Frequently Asked Questions

What is the IUPAC name of 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide (CID 78885519) is 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)s1.
What is the InChIKey of 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is HCZOJNXERZCFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c28-21(24-17-11-14-27(15-12-17)19-8-4-5-13-23-19)18-9-10-20(30-18)26-22(29)25-16-6-2-1-3-7-16/h1-10,13,17H,11-12,14-15H2,(H,24,28)(H2,25,26,29).
What are the key properties of 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78885519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).