N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride

C19H24Cl2N4O3 — CID 120945860

IUPACN-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NCC2CNCC2O)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C19H22N4O3.2ClH/c1-12-3-2-4-15(19(26)22-10-14-9-21-11-16(14)24)17(12)23-18(25)13-5-7-20-8-6-13;;/h2-8,14,16,21,24H,9-11H2,1H3,(H,22,26)(H,23,25);2*1H
InChIKeyNVFPYNKYVFWQTE-UHFFFAOYSA-N
MW427.33 g/mol
LogP1.80
Rot. Bonds5

About N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride

N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120945860) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID120945860
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC NameN-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NCC2CNCC2O)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C19H22N4O3.2ClH/c1-12-3-2-4-15(19(26)22-10-14-9-21-11-16(14)24)17(12)23-18(25)13-5-7-20-8-6-13;;/h2-8,14,16,21,24H,9-11H2,1H3,(H,22,26)(H,23,25);2*1H
InChIKeyNVFPYNKYVFWQTE-UHFFFAOYSA-N
XLogP1.80
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431
N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119556509
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-[2-methyl-6-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 119551533
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120945879
N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 47802697
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 47074877
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119484588

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride (CID 120945860) is N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride is Cc1cccc(C(=O)NCC2CNCC2O)c1NC(=O)c1ccncc1.Cl.Cl.
What is the InChIKey of N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is NVFPYNKYVFWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.2ClH/c1-12-3-2-4-15(19(26)22-10-14-9-21-11-16(14)24)17(12)23-18(25)13-5-7-20-8-6-13;;/h2-8,14,16,21,24H,9-11H2,1H3,(H,22,26)(H,23,25);2*1H.
What are the key properties of N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 427.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120945860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).