(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide

C14H18N4O — CID 146097994

IUPAC(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCc1ccc2cncn2c1
InChIInChI=1S/C14H18N4O/c1-17(2)7-3-4-14(19)16-8-12-5-6-13-9-15-11-18(13)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,16,19)/b4-3+
InChIKeyPLKXIDZBSCCVSW-ONEGZZNKSA-N
MW258.32 g/mol
LogP1.07
Rot. Bonds5

About (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide

(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide (PubChem CID 146097994) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide
PubChem CID146097994
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCc1ccc2cncn2c1
InChIInChI=1S/C14H18N4O/c1-17(2)7-3-4-14(19)16-8-12-5-6-13-9-15-11-18(13)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,16,19)/b4-3+
InChIKeyPLKXIDZBSCCVSW-ONEGZZNKSA-N
XLogP1.07
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide (CID 146097994) is (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide is CN(C)C/C=C/C(=O)NCc1ccc2cncn2c1.
What is the InChIKey of (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide?
The InChIKey is PLKXIDZBSCCVSW-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)7-3-4-14(19)16-8-12-5-6-13-9-15-11-18(13)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,16,19)/b4-3+.
What are the key properties of (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide?
(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide is sourced from PubChem (CID 146097994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).