N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride

C19H26Cl2N4O2 — CID 119571882

IUPACN-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(NC(=O)c2cccnc2)c1.Cl.Cl
InChIInChI=1S/C19H24N4O2.2ClH/c1-3-19(4-2,13-20)23-18(25)14-7-5-9-16(11-14)22-17(24)15-8-6-10-21-12-15;;/h5-12H,3-4,13,20H2,1-2H3,(H,22,24)(H,23,25);2*1H
InChIKeyUUGHIUTXFZNNAI-UHFFFAOYSA-N
MW413.35 g/mol
LogP3.42
Rot. Bonds7

About N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride

N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119571882) has the molecular formula C19H26Cl2N4O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119571882
Molecular FormulaC19H26Cl2N4O2
Molecular Weight413.35 g/mol
Exact Mass412.14
IUPAC NameN-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(NC(=O)c2cccnc2)c1.Cl.Cl
InChIInChI=1S/C19H24N4O2.2ClH/c1-3-19(4-2,13-20)23-18(25)14-7-5-9-16(11-14)22-17(24)15-8-6-10-21-12-15;;/h5-12H,3-4,13,20H2,1-2H3,(H,22,24)(H,23,25);2*1H
InChIKeyUUGHIUTXFZNNAI-UHFFFAOYSA-N
XLogP3.42
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride
CID 119571010
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119569679
N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633445
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride (CID 119571882) is N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride is CCC(CC)(CN)NC(=O)c1cccc(NC(=O)c2cccnc2)c1.Cl.Cl.
What is the InChIKey of N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is UUGHIUTXFZNNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.2ClH/c1-3-19(4-2,13-20)23-18(25)14-7-5-9-16(11-14)22-17(24)15-8-6-10-21-12-15;;/h5-12H,3-4,13,20H2,1-2H3,(H,22,24)(H,23,25);2*1H.
What are the key properties of N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 413.35 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119571882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).