N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide

C19H25N5O — CID 109271738

IUPACN-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)NC3CC3)cn2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)10-15)23-18-12-20-17(11-21-18)19(25)22-14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyRIHLEGHESHTJMQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.27
Rot. Bonds7

About N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide

N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide (PubChem CID 109271738) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
PubChem CID109271738
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)NC3CC3)cn2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)10-15)23-18-12-20-17(11-21-18)19(25)22-14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyRIHLEGHESHTJMQ-UHFFFAOYSA-N
XLogP3.27
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
CID 109223740
N-cyclopentyl-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109273966
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide (CID 109271738) is N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide is CCN(CC)c1ccc(Nc2cnc(C(=O)NC3CC3)cn2)c(C)c1.
What is the InChIKey of N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The InChIKey is RIHLEGHESHTJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)10-15)23-18-12-20-17(11-21-18)19(25)22-14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109271738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).