N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride

C14H22Cl2N4O2 — CID 119476259

IUPACN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)CNC(=O)c2ccccn2)CC1
InChIInChI=1S/C14H20N4O2.2ClH/c15-10-4-6-11(7-5-10)18-13(19)9-17-14(20)12-3-1-2-8-16-12;;/h1-3,8,10-11H,4-7,9,15H2,(H,17,20)(H,18,19);2*1H
InChIKeyOTJRANMQEMPGQC-UHFFFAOYSA-N
MW349.26 g/mol
LogP1.04
Rot. Bonds4

About N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride

N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 119476259) has the molecular formula C14H22Cl2N4O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID119476259
Molecular FormulaC14H22Cl2N4O2
Molecular Weight349.26 g/mol
Exact Mass348.11
IUPAC NameN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)CNC(=O)c2ccccn2)CC1
InChIInChI=1S/C14H20N4O2.2ClH/c15-10-4-6-11(7-5-10)18-13(19)9-17-14(20)12-3-1-2-8-16-12;;/h1-3,8,10-11H,4-7,9,15H2,(H,17,20)(H,18,19);2*1H
InChIKeyOTJRANMQEMPGQC-UHFFFAOYSA-N
XLogP1.04
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119474993
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CID 167956409
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
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N-[2-(cyclopropylamino)-2-oxoethyl]-4-hydrazinylpyridine-2-carboxamide
CID 62243783
N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
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N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550474
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]pyridine-2-carboxamide
CID 119535290
N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119477889
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119641344
N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378131
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride (CID 119476259) is N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)CNC(=O)c2ccccn2)CC1.
What is the InChIKey of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is OTJRANMQEMPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.2ClH/c15-10-4-6-11(7-5-10)18-13(19)9-17-14(20)12-3-1-2-8-16-12;;/h1-3,8,10-11H,4-7,9,15H2,(H,17,20)(H,18,19);2*1H.
What are the key properties of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 349.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119476259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).