(5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide

C15H20N4O — CID 157194749

IUPAC(5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide
SMILESCc1ccc(CN)nc1.Cc1ccc(CNC=O)nc1
InChIInChI=1S/C8H10N2O.C7H10N2/c1-7-2-3-8(10-4-7)5-9-6-11;1-6-2-3-7(4-8)9-5-6/h2-4,6H,5H2,1H3,(H,9,11);2-3,5H,4,8H2,1H3
InChIKeyAQCPHZKQKDWAKK-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds4

About (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide

(5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide (PubChem CID 157194749) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound Name(5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide
PubChem CID157194749
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide
SMILESCc1ccc(CN)nc1.Cc1ccc(CNC=O)nc1
InChIInChI=1S/C8H10N2O.C7H10N2/c1-7-2-3-8(10-4-7)5-9-6-11;1-6-2-3-7(4-8)9-5-6/h2-4,6H,5H2,1H3,(H,9,11);2-3,5H,4,8H2,1H3
InChIKeyAQCPHZKQKDWAKK-UHFFFAOYSA-N
XLogP1.48
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide?
The IUPAC name of (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide (CID 157194749) is (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide.
What is the SMILES notation for (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide?
The canonical SMILES for (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide is Cc1ccc(CN)nc1.Cc1ccc(CNC=O)nc1.
What is the InChIKey of (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide?
The InChIKey is AQCPHZKQKDWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C7H10N2/c1-7-2-3-8(10-4-7)5-9-6-11;1-6-2-3-7(4-8)9-5-6/h2-4,6H,5H2,1H3,(H,9,11);2-3,5H,4,8H2,1H3.
What are the key properties of (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide?
(5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide has a molecular weight of 272.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 157194749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).