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

C14H24Cl2N4O2 — CID 119641344

IUPACN-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)CNC(=O)c1ccccn1.Cl.Cl
InChIInChI=1S/C14H22N4O2.2ClH/c1-3-14(15,4-2)10-18-12(19)9-17-13(20)11-7-5-6-8-16-11;;/h5-8H,3-4,9-10,15H2,1-2H3,(H,17,20)(H,18,19);2*1H
InChIKeyZHLOREHISUMRCY-UHFFFAOYSA-N
MW351.28 g/mol
LogP1.29
Rot. Bonds7

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

N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 119641344) has the molecular formula C14H24Cl2N4O2 and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID119641344
Molecular FormulaC14H24Cl2N4O2
Molecular Weight351.28 g/mol
Exact Mass350.13
IUPAC NameN-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)CNC(=O)c1ccccn1.Cl.Cl
InChIInChI=1S/C14H22N4O2.2ClH/c1-3-14(15,4-2)10-18-12(19)9-17-13(20)11-7-5-6-8-16-11;;/h5-8H,3-4,9-10,15H2,1-2H3,(H,17,20)(H,18,19);2*1H
InChIKeyZHLOREHISUMRCY-UHFFFAOYSA-N
XLogP1.29
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119641011
N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119641820
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119476259
2-(pyridine-2-carbonylamino)acetic acid;thiophene
CID 66951625
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-phenacylpyridine-2-carboxamide
CID 64991609
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride (CID 119641344) is N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride is CCC(N)(CC)CNC(=O)CNC(=O)c1ccccn1.Cl.Cl.
What is the InChIKey of N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is ZHLOREHISUMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.2ClH/c1-3-14(15,4-2)10-18-12(19)9-17-13(20)11-7-5-6-8-16-11;;/h5-8H,3-4,9-10,15H2,1-2H3,(H,17,20)(H,18,19);2*1H.
What are the key properties of N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 351.28 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119641344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).