5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide

C23H25N5O2S — CID 78890544

IUPAC5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccnc(N3CCCCC3)c2)s1
InChIInChI=1S/C23H25N5O2S/c29-22(25-16-17-11-12-24-20(15-17)28-13-5-2-6-14-28)19-9-10-21(31-19)27-23(30)26-18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,25,29)(H2,26,27,30)
InChIKeyLBZWMEYJQIRGGZ-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.71
Rot. Bonds6

About 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide

5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 78890544) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID78890544
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccnc(N3CCCCC3)c2)s1
InChIInChI=1S/C23H25N5O2S/c29-22(25-16-17-11-12-24-20(15-17)28-13-5-2-6-14-28)19-9-10-21(31-19)27-23(30)26-18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,25,29)(H2,26,27,30)
InChIKeyLBZWMEYJQIRGGZ-UHFFFAOYSA-N
XLogP4.71
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849550
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
5-(phenylcarbamoylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 112815001
2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 49322069
1-[(1-phenylcyclopropyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 36964043
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide
CID 97187053

Frequently Asked Questions

What is the IUPAC name of 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide (CID 78890544) is 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccnc(N3CCCCC3)c2)s1.
What is the InChIKey of 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is LBZWMEYJQIRGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c29-22(25-16-17-11-12-24-20(15-17)28-13-5-2-6-14-28)19-9-10-21(31-19)27-23(30)26-18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,25,29)(H2,26,27,30).
What are the key properties of 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 78890544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).