N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride

C16H25Cl2N5O3 — CID 119480499

IUPACN-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCN(C(=O)CNC(=O)c2ccccn2)C1
InChIInChI=1S/C16H23N5O3.2ClH/c17-6-8-19-15(23)12-4-3-9-21(11-12)14(22)10-20-16(24)13-5-1-2-7-18-13;;/h1-2,5,7,12H,3-4,6,8-11,17H2,(H,19,23)(H,20,24);2*1H
InChIKeyHFBAVVCGVYFKAT-UHFFFAOYSA-N
MW406.31 g/mol
LogP-0.03
Rot. Bonds6

About N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride

N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 119480499) has the molecular formula C16H25Cl2N5O3 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID119480499
Molecular FormulaC16H25Cl2N5O3
Molecular Weight406.31 g/mol
Exact Mass405.13
IUPAC NameN-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCN(C(=O)CNC(=O)c2ccccn2)C1
InChIInChI=1S/C16H23N5O3.2ClH/c17-6-8-19-15(23)12-4-3-9-21(11-12)14(22)10-20-16(24)13-5-1-2-7-18-13;;/h1-2,5,7,12H,3-4,6,8-11,17H2,(H,19,23)(H,20,24);2*1H
InChIKeyHFBAVVCGVYFKAT-UHFFFAOYSA-N
XLogP-0.03
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[3-(pyridin-2-ylmethylsulfanyl)propanoyl]piperidine-3-carboxamide
CID 119481911
N-(2-aminoethyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480845
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
N-(2-aminoethyl)-1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidine-3-carboxamide
CID 119480384
N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 126786202
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040
N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide
CID 119479808
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 119632371
N-(2-aminoethyl)-1-[3-(2-fluorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480114
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride (CID 119480499) is N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride is Cl.Cl.NCCNC(=O)C1CCCN(C(=O)CNC(=O)c2ccccn2)C1.
What is the InChIKey of N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is HFBAVVCGVYFKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3.2ClH/c17-6-8-19-15(23)12-4-3-9-21(11-12)14(22)10-20-16(24)13-5-1-2-7-18-13;;/h1-2,5,7,12H,3-4,6,8-11,17H2,(H,19,23)(H,20,24);2*1H.
What are the key properties of N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 406.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119480499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).