N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride

C18H22Cl2N4O3 — CID 119845818

IUPACN-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCOc1cc(NC(=O)C2CCCN2)ccc1NC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C18H20N4O3.2ClH/c1-25-16-10-13(21-18(24)15-5-3-9-20-15)6-7-14(16)22-17(23)12-4-2-8-19-11-12;;/h2,4,6-8,10-11,15,20H,3,5,9H2,1H3,(H,21,24)(H,22,23);2*1H
InChIKeyLEJNHMANIVCLMO-UHFFFAOYSA-N
MW413.31 g/mol
LogP2.88
Rot. Bonds5

About N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride

N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119845818) has the molecular formula C18H22Cl2N4O3 and a molecular weight of 413.31 g/mol. Its IUPAC name is N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119845818
Molecular FormulaC18H22Cl2N4O3
Molecular Weight413.31 g/mol
Exact Mass412.11
IUPAC NameN-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCOc1cc(NC(=O)C2CCCN2)ccc1NC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C18H20N4O3.2ClH/c1-25-16-10-13(21-18(24)15-5-3-9-20-15)6-7-14(16)22-17(23)12-4-2-8-19-11-12;;/h2,4,6-8,10-11,15,20H,3,5,9H2,1H3,(H,21,24)(H,22,23);2*1H
InChIKeyLEJNHMANIVCLMO-UHFFFAOYSA-N
XLogP2.88
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55671213
N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55791693
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215
2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55874183
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride (CID 119845818) is N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride is COc1cc(NC(=O)C2CCCN2)ccc1NC(=O)c1cccnc1.Cl.Cl.
What is the InChIKey of N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is LEJNHMANIVCLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3.2ClH/c1-25-16-10-13(21-18(24)15-5-3-9-20-15)6-7-14(16)22-17(23)12-4-2-8-19-11-12;;/h2,4,6-8,10-11,15,20H,3,5,9H2,1H3,(H,21,24)(H,22,23);2*1H.
What are the key properties of N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 413.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119845818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).