3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine

C36H38N12O5 — CID 159008127

IUPAC3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine
SMILESCc1nc(C(=O)NCc2ncccc2C2CC2)c(N)nc1-c1ncco1.Cc1nc(C(=O)O)c(N)nc1-c1ncco1.NCc1ncccc1C1CC1
InChIInChI=1S/C18H18N6O2.C9H8N4O3.C9H12N2/c1-10-14(18-21-7-8-26-18)24-16(19)15(23-10)17(25)22-9-13-12(11-4-5-11)3-2-6-20-13;1-4-5(8-11-2-3-16-8)13-7(10)6(12-4)9(14)15;10-6-9-8(7-3-4-7)2-1-5-11-9/h2-3,6-8,11H,4-5,9H2,1H3,(H2,19,24)(H,22,25);2-3H,1H3,(H2,10,13)(H,14,15);1-2,5,7H,3-4,6,10H2
InChIKeyJSEFVUQANPLTFE-UHFFFAOYSA-N
MW718.78 g/mol
LogP4.36
Rot. Bonds9

About 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine

3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine (PubChem CID 159008127) has the molecular formula C36H38N12O5 and a molecular weight of 718.78 g/mol. Its IUPAC name is 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine
PubChem CID159008127
Molecular FormulaC36H38N12O5
Molecular Weight718.78 g/mol
Exact Mass718.31
IUPAC Name3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine
SMILESCc1nc(C(=O)NCc2ncccc2C2CC2)c(N)nc1-c1ncco1.Cc1nc(C(=O)O)c(N)nc1-c1ncco1.NCc1ncccc1C1CC1
InChIInChI=1S/C18H18N6O2.C9H8N4O3.C9H12N2/c1-10-14(18-21-7-8-26-18)24-16(19)15(23-10)17(25)22-9-13-12(11-4-5-11)3-2-6-20-13;1-4-5(8-11-2-3-16-8)13-7(10)6(12-4)9(14)15;10-6-9-8(7-3-4-7)2-1-5-11-9/h2-3,6-8,11H,4-5,9H2,1H3,(H2,19,24)(H,22,25);2-3H,1H3,(H2,10,13)(H,14,15);1-2,5,7H,3-4,6,10H2
InChIKeyJSEFVUQANPLTFE-UHFFFAOYSA-N
XLogP4.36
TPSA273.86 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.78
LogP ≤ 54.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine?
The IUPAC name of 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine (CID 159008127) is 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine.
What is the SMILES notation for 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine?
The canonical SMILES for 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine is Cc1nc(C(=O)NCc2ncccc2C2CC2)c(N)nc1-c1ncco1.Cc1nc(C(=O)O)c(N)nc1-c1ncco1.NCc1ncccc1C1CC1.
What is the InChIKey of 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine?
The InChIKey is JSEFVUQANPLTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2.C9H8N4O3.C9H12N2/c1-10-14(18-21-7-8-26-18)24-16(19)15(23-10)17(25)22-9-13-12(11-4-5-11)3-2-6-20-13;1-4-5(8-11-2-3-16-8)13-7(10)6(12-4)9(14)15;10-6-9-8(7-3-4-7)2-1-5-11-9/h2-3,6-8,11H,4-5,9H2,1H3,(H2,19,24)(H,22,25);2-3H,1H3,(H2,10,13)(H,14,15);1-2,5,7H,3-4,6,10H2.
What are the key properties of 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine?
3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine has a molecular weight of 718.78 g/mol, XLogP of 4.36, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-cyclopropyl-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;(3-cyclopropyl-2-pyridinyl)methanamine is sourced from PubChem (CID 159008127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).