5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide

C19H25ClN4O — CID 109285830

IUPAC5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H25ClN4O/c1-3-11-24(12-4-2)19(25)17-13-23-18(14-22-17)21-10-9-15-5-7-16(20)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyFGHFXZXWBAVRST-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.05
Rot. Bonds9

About 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide

5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide (PubChem CID 109285830) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
PubChem CID109285830
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H25ClN4O/c1-3-11-24(12-4-2)19(25)17-13-23-18(14-22-17)21-10-9-15-5-7-16(20)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyFGHFXZXWBAVRST-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109215470
5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109281705
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-(3-methoxypropylamino)-N,N-dipropylpyrazine-2-carboxamide
CID 109276273
5-(2,5-dichloroanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288990
5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514
N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 107374760
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
CID 109285752
N-(cyclopropylmethyl)-N-propyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374839
N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109289002

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide (CID 109285830) is 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide is CCCN(CCC)C(=O)c1cnc(NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide?
The InChIKey is FGHFXZXWBAVRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-3-11-24(12-4-2)19(25)17-13-23-18(14-22-17)21-10-9-15-5-7-16(20)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,23).
What are the key properties of 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide?
5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide is sourced from PubChem (CID 109285830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).