N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide

C20H24N4O2S — CID 91948849

IUPACN-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide
SMILESO=C(CCSc1nccc2ncccc12)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C20H24N4O2S/c25-18(24(15-5-6-15)20(26)14-3-1-9-21-13-14)8-12-27-19-16-4-2-10-22-17(16)7-11-23-19/h2,4,7,10-11,14-15,21H,1,3,5-6,8-9,12-13H2
InChIKeyVZBOKSBQNRNEHJ-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.63
Rot. Bonds6

About N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide

N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide (PubChem CID 91948849) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide
PubChem CID91948849
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide
SMILESO=C(CCSc1nccc2ncccc12)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C20H24N4O2S/c25-18(24(15-5-6-15)20(26)14-3-1-9-21-13-14)8-12-27-19-16-4-2-10-22-17(16)7-11-23-19/h2,4,7,10-11,14-15,21H,1,3,5-6,8-9,12-13H2
InChIKeyVZBOKSBQNRNEHJ-UHFFFAOYSA-N
XLogP2.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060
N-cyclopropyl-N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoyl]piperidine-3-carboxamide
CID 91953669
N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 91953683
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 81129457
3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
CID 24843603
N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide
CID 91950476

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide (CID 91948849) is N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide is O=C(CCSc1nccc2ncccc12)N(C(=O)C1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide?
The InChIKey is VZBOKSBQNRNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-18(24(15-5-6-15)20(26)14-3-1-9-21-13-14)8-12-27-19-16-4-2-10-22-17(16)7-11-23-19/h2,4,7,10-11,14-15,21H,1,3,5-6,8-9,12-13H2.
What are the key properties of N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide?
N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 91948849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).