(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide

C14H14N4O — CID 122263482

IUPAC(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2cccnc2)ncn1
InChIInChI=1S/C14H14N4O/c1-11-7-13(18-10-17-11)9-16-14(19)5-4-12-3-2-6-15-8-12/h2-8,10H,9H2,1H3,(H,16,19)/b5-4+
InChIKeySKJQURPTQZQRCB-SNAWJCMRSA-N
MW254.29 g/mol
LogP1.51
Rot. Bonds4

About (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 122263482) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID122263482
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2cccnc2)ncn1
InChIInChI=1S/C14H14N4O/c1-11-7-13(18-10-17-11)9-16-14(19)5-4-12-3-2-6-15-8-12/h2-8,10H,9H2,1H3,(H,16,19)/b5-4+
InChIKeySKJQURPTQZQRCB-SNAWJCMRSA-N
XLogP1.51
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.51
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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Related Compounds

(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
(E)-4,4,4-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]but-2-enamide
CID 167765691
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 98518017
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 38108420
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 103843405
(E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51078197
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide (CID 122263482) is (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide is Cc1cc(CNC(=O)/C=C/c2cccnc2)ncn1.
What is the InChIKey of (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is SKJQURPTQZQRCB-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11-7-13(18-10-17-11)9-16-14(19)5-4-12-3-2-6-15-8-12/h2-8,10H,9H2,1H3,(H,16,19)/b5-4+.
What are the key properties of (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 254.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 122263482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).