N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride

C14H22Cl2N4O2 — CID 119850152

IUPACN-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NCCNC(=O)c2cccnc2)C1
InChIInChI=1S/C14H20N4O2.2ClH/c15-12-4-3-10(8-12)13(19)17-6-7-18-14(20)11-2-1-5-16-9-11;;/h1-2,5,9-10,12H,3-4,6-8,15H2,(H,17,19)(H,18,20);2*1H
InChIKeyBRIGSXJGWAIXCJ-UHFFFAOYSA-N
MW349.26 g/mol
LogP0.90
Rot. Bonds5

About N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride

N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119850152) has the molecular formula C14H22Cl2N4O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119850152
Molecular FormulaC14H22Cl2N4O2
Molecular Weight349.26 g/mol
Exact Mass348.11
IUPAC NameN-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NCCNC(=O)c2cccnc2)C1
InChIInChI=1S/C14H20N4O2.2ClH/c15-12-4-3-10(8-12)13(19)17-6-7-18-14(20)11-2-1-5-16-9-11;;/h1-2,5,9-10,12H,3-4,6-8,15H2,(H,17,19)(H,18,20);2*1H
InChIKeyBRIGSXJGWAIXCJ-UHFFFAOYSA-N
XLogP0.90
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870450
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055623
N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119783278
N-[2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]ethyl]pyridine-3-carboxamide;dihydrochloride
CID 120798153
N-[2-[(1-cyclopentylpiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72909443
N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97203330
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72876390
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride (CID 119850152) is N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)NCCNC(=O)c2cccnc2)C1.
What is the InChIKey of N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is BRIGSXJGWAIXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.2ClH/c15-12-4-3-10(8-12)13(19)17-6-7-18-14(20)11-2-1-5-16-9-11;;/h1-2,5,9-10,12H,3-4,6-8,15H2,(H,17,19)(H,18,20);2*1H.
What are the key properties of N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride?
N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 349.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119850152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).