N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide

C18H25N5O — CID 109277809

IUPACN-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCCCN(C)C)cn2)cc1C
InChIInChI=1S/C18H25N5O/c1-13-6-7-15(10-14(13)2)22-17-12-20-16(11-21-17)18(24)19-8-5-9-23(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,24)(H,21,22)
InChIKeyJWGHAXWIAIYXOK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.52
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109277809) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109277809
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCCCN(C)C)cn2)cc1C
InChIInChI=1S/C18H25N5O/c1-13-6-7-15(10-14(13)2)22-17-12-20-16(11-21-17)18(24)19-8-5-9-23(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,24)(H,21,22)
InChIKeyJWGHAXWIAIYXOK-UHFFFAOYSA-N
XLogP2.52
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109277174
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
5-anilino-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277171
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277250
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide (CID 109277809) is N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)NCCCN(C)C)cn2)cc1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is JWGHAXWIAIYXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-6-7-15(10-14(13)2)22-17-12-20-16(11-21-17)18(24)19-8-5-9-23(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,24)(H,21,22).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109277809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).