N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide

C23H27ClN4O2S — CID 173199600

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)C1CCN(C2CCSCC2)CC1
InChIInChI=1S/C23H27ClN4O2S/c24-17-5-6-21(25-15-17)27-23(30)19-3-1-2-4-20(19)26-22(29)16-7-11-28(12-8-16)18-9-13-31-14-10-18/h1-6,15-16,18H,7-14H2,(H,26,29)(H,25,27,30)
InChIKeyFSGDSWVRXYTWCY-UHFFFAOYSA-N
MW459.02 g/mol
LogP4.53
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide (PubChem CID 173199600) has the molecular formula C23H27ClN4O2S and a molecular weight of 459.02 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide
PubChem CID173199600
Molecular FormulaC23H27ClN4O2S
Molecular Weight459.02 g/mol
Exact Mass458.15
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)C1CCN(C2CCSCC2)CC1
InChIInChI=1S/C23H27ClN4O2S/c24-17-5-6-21(25-15-17)27-23(30)19-3-1-2-4-20(19)26-22(29)16-7-11-28(12-8-16)18-9-13-31-14-10-18/h1-6,15-16,18H,7-14H2,(H,26,29)(H,25,27,30)
InChIKeyFSGDSWVRXYTWCY-UHFFFAOYSA-N
XLogP4.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.02
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 20598018
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 75469998
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 20597993
N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride
CID 157245051
N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 11475123
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorobenzoyl)benzoyl]piperidine-4-carboxamide
CID 55924923
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide (CID 173199600) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)C1CCN(C2CCSCC2)CC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide?
The InChIKey is FSGDSWVRXYTWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2S/c24-17-5-6-21(25-15-17)27-23(30)19-3-1-2-4-20(19)26-22(29)16-7-11-28(12-8-16)18-9-13-31-14-10-18/h1-6,15-16,18H,7-14H2,(H,26,29)(H,25,27,30).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide has a molecular weight of 459.02 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 173199600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).