N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride

C15H17ClN4O2 — CID 119287653

IUPACN-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(Oc2cnccn2)c1)C1CCCN1
InChIInChI=1S/C15H16N4O2.ClH/c20-15(13-5-2-6-17-13)19-11-3-1-4-12(9-11)21-14-10-16-7-8-18-14;/h1,3-4,7-10,13,17H,2,5-6H2,(H,19,20);1H
InChIKeyKPXHIJPCPFDUJU-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.38
Rot. Bonds4

About N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride

N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119287653) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119287653
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC NameN-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(Oc2cnccn2)c1)C1CCCN1
InChIInChI=1S/C15H16N4O2.ClH/c20-15(13-5-2-6-17-13)19-11-3-1-4-12(9-11)21-14-10-16-7-8-18-14;/h1,3-4,7-10,13,17H,2,5-6H2,(H,19,20);1H
InChIKeyKPXHIJPCPFDUJU-UHFFFAOYSA-N
XLogP2.38
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119720300
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(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
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CID 10607737
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 86929912
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
1-amino-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119287655
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CID 124509646

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119287653) is N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(Oc2cnccn2)c1)C1CCCN1.
What is the InChIKey of N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KPXHIJPCPFDUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2.ClH/c20-15(13-5-2-6-17-13)19-11-3-1-4-12(9-11)21-14-10-16-7-8-18-14;/h1,3-4,7-10,13,17H,2,5-6H2,(H,19,20);1H.
What are the key properties of N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 320.78 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119287653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).