N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride

C12H18Cl3N3O — CID 119566570

IUPACN-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2ccc(Cl)cn2)CCCC1
InChIInChI=1S/C12H16ClN3O.2ClH/c13-9-3-4-10(15-7-9)11(17)16-12(8-14)5-1-2-6-12;;/h3-4,7H,1-2,5-6,8,14H2,(H,16,17);2*1H
InChIKeyISRMEWSZWQKUGE-UHFFFAOYSA-N
MW326.66 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride (PubChem CID 119566570) has the molecular formula C12H18Cl3N3O and a molecular weight of 326.66 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride
PubChem CID119566570
Molecular FormulaC12H18Cl3N3O
Molecular Weight326.66 g/mol
Exact Mass325.05
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2ccc(Cl)cn2)CCCC1
InChIInChI=1S/C12H16ClN3O.2ClH/c13-9-3-4-10(15-7-9)11(17)16-12(8-14)5-1-2-6-12;;/h3-4,7H,1-2,5-6,8,14H2,(H,16,17);2*1H
InChIKeyISRMEWSZWQKUGE-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.66
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 119566537
N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide
CID 63888380
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 63888390
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 113359954
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride (CID 119566570) is N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride is Cl.Cl.NCC1(NC(=O)c2ccc(Cl)cn2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride?
The InChIKey is ISRMEWSZWQKUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O.2ClH/c13-9-3-4-10(15-7-9)11(17)16-12(8-14)5-1-2-6-12;;/h3-4,7H,1-2,5-6,8,14H2,(H,16,17);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride has a molecular weight of 326.66 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119566570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).