6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide

C15H15N5O — CID 133449042

IUPAC6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N(C)Cc2cnccn2)nc1
InChIInChI=1S/C15H15N5O/c1-3-6-18-15(21)12-4-5-14(19-9-12)20(2)11-13-10-16-7-8-17-13/h1,4-5,7-10H,6,11H2,2H3,(H,18,21)
InChIKeyTXPOXVDDMDCHLC-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.87
Rot. Bonds5

About 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide

6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133449042) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133449042
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N(C)Cc2cnccn2)nc1
InChIInChI=1S/C15H15N5O/c1-3-6-18-15(21)12-4-5-14(19-9-12)20(2)11-13-10-16-7-8-17-13/h1,4-5,7-10H,6,11H2,2H3,(H,18,21)
InChIKeyTXPOXVDDMDCHLC-UHFFFAOYSA-N
XLogP0.87
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133449042) is 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(N(C)Cc2cnccn2)nc1.
What is the InChIKey of 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is TXPOXVDDMDCHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-3-6-18-15(21)12-4-5-14(19-9-12)20(2)11-13-10-16-7-8-17-13/h1,4-5,7-10H,6,11H2,2H3,(H,18,21).
What are the key properties of 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(pyrazin-2-ylmethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133449042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).