N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide

C13H18ClFN4O — CID 79727350

IUPACN-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C13H18ClFN4O/c14-10-6-11(15)12(18-7-10)19-5-1-2-9(8-19)13(20)17-4-3-16/h6-7,9H,1-5,8,16H2,(H,17,20)
InChIKeyPRFUTDYPBSTCHQ-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.17
Rot. Bonds4

About N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 79727350) has the molecular formula C13H18ClFN4O and a molecular weight of 300.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID79727350
Molecular FormulaC13H18ClFN4O
Molecular Weight300.76 g/mol
Exact Mass300.12
IUPAC NameN-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C13H18ClFN4O/c14-10-6-11(15)12(18-7-10)19-5-1-2-9(8-19)13(20)17-4-3-16/h6-7,9H,1-5,8,16H2,(H,17,20)
InChIKeyPRFUTDYPBSTCHQ-UHFFFAOYSA-N
XLogP1.17
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 105367314
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 83156646
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 66333680
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891424
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide (CID 79727350) is N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(c2ncc(Cl)cc2F)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PRFUTDYPBSTCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN4O/c14-10-6-11(15)12(18-7-10)19-5-1-2-9(8-19)13(20)17-4-3-16/h6-7,9H,1-5,8,16H2,(H,17,20).
What are the key properties of N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 300.76 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 79727350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).