(Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide

C14H19N3O2 — CID 143374778

IUPAC(Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide
SMILESCCCc1nc(C)ccc1/C(NC=O)=C(\C)C(N)=O
InChIInChI=1S/C14H19N3O2/c1-4-5-12-11(7-6-9(2)17-12)13(16-8-18)10(3)14(15)19/h6-8H,4-5H2,1-3H3,(H2,15,19)(H,16,18)/b13-10-
InChIKeySMMGOCZUTNCHEO-RAXLEYEMSA-N
MW261.32 g/mol
LogP1.30
Rot. Bonds6

About (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide

(Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide (PubChem CID 143374778) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide
PubChem CID143374778
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide
SMILESCCCc1nc(C)ccc1/C(NC=O)=C(\C)C(N)=O
InChIInChI=1S/C14H19N3O2/c1-4-5-12-11(7-6-9(2)17-12)13(16-8-18)10(3)14(15)19/h6-8H,4-5H2,1-3H3,(H2,15,19)(H,16,18)/b13-10-
InChIKeySMMGOCZUTNCHEO-RAXLEYEMSA-N
XLogP1.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide (CID 143374778) is (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide is CCCc1nc(C)ccc1/C(NC=O)=C(\C)C(N)=O.
What is the InChIKey of (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide?
The InChIKey is SMMGOCZUTNCHEO-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-5-12-11(7-6-9(2)17-12)13(16-8-18)10(3)14(15)19/h6-8H,4-5H2,1-3H3,(H2,15,19)(H,16,18)/b13-10-.
What are the key properties of (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide?
(Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-formamido-2-methyl-3-(6-methyl-2-propyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 143374778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).