N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride

C19H24Cl2N4O2 — CID 119484588

IUPACN-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)N2CCC(CN)C2)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C19H22N4O2.2ClH/c1-13-3-2-4-16(19(25)23-10-7-14(11-20)12-23)17(13)22-18(24)15-5-8-21-9-6-15;;/h2-6,8-9,14H,7,10-12,20H2,1H3,(H,22,24);2*1H
InChIKeyQTWRDJKZZRRMEX-UHFFFAOYSA-N
MW411.33 g/mol
LogP2.91
Rot. Bonds4

About N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride

N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119484588) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID119484588
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC NameN-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)N2CCC(CN)C2)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C19H22N4O2.2ClH/c1-13-3-2-4-16(19(25)23-10-7-14(11-20)12-23)17(13)22-18(24)15-5-8-21-9-6-15;;/h2-6,8-9,14H,7,10-12,20H2,1H3,(H,22,24);2*1H
InChIKeyQTWRDJKZZRRMEX-UHFFFAOYSA-N
XLogP2.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-aminopiperidine-1-carbonyl)-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119378723
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119622893
N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119594102
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 119483619
N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119556509
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride (CID 119484588) is N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride is Cc1cccc(C(=O)N2CCC(CN)C2)c1NC(=O)c1ccncc1.Cl.Cl.
What is the InChIKey of N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is QTWRDJKZZRRMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.2ClH/c1-13-3-2-4-16(19(25)23-10-7-14(11-20)12-23)17(13)22-18(24)15-5-8-21-9-6-15;;/h2-6,8-9,14H,7,10-12,20H2,1H3,(H,22,24);2*1H.
What are the key properties of N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 411.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119484588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).