2-[(5-methyl-2-pyridinyl)amino]prop-2-enal

C9H10N2O — CID 144725404

IUPAC2-[(5-methyl-2-pyridinyl)amino]prop-2-enal
SMILESC=C(C=O)Nc1ccc(C)cn1
InChIInChI=1S/C9H10N2O/c1-7-3-4-9(10-5-7)11-8(2)6-12/h3-6H,2H2,1H3,(H,10,11)
InChIKeyUPLMLMSEWPHCPJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.51
Rot. Bonds3

About 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal

2-[(5-methyl-2-pyridinyl)amino]prop-2-enal (PubChem CID 144725404) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)amino]prop-2-enal
PubChem CID144725404
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-[(5-methyl-2-pyridinyl)amino]prop-2-enal
SMILESC=C(C=O)Nc1ccc(C)cn1
InChIInChI=1S/C9H10N2O/c1-7-3-4-9(10-5-7)11-8(2)6-12/h3-6H,2H2,1H3,(H,10,11)
InChIKeyUPLMLMSEWPHCPJ-UHFFFAOYSA-N
XLogP1.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
CID 79286305
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
(E)-4-[(5-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 6032773
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
(E)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 82335627
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
(2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal
CID 175450546
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
2-(azetidin-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 64617953
N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide
CID 108528764

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal (CID 144725404) is 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal is C=C(C=O)Nc1ccc(C)cn1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal?
The InChIKey is UPLMLMSEWPHCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-3-4-9(10-5-7)11-8(2)6-12/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal?
2-[(5-methyl-2-pyridinyl)amino]prop-2-enal has a molecular weight of 162.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)amino]prop-2-enal is sourced from PubChem (CID 144725404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).