(E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide

C18H23N5O2 — CID 75533555

IUPAC(E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide
SMILESCC(Nc1ccncc1NC(=O)/C=C/c1cnn(C)c1)C1CCCO1
InChIInChI=1S/C18H23N5O2/c1-13(17-4-3-9-25-17)21-15-7-8-19-11-16(15)22-18(24)6-5-14-10-20-23(2)12-14/h5-8,10-13,17H,3-4,9H2,1-2H3,(H,19,21)(H,22,24)/b6-5+
InChIKeyJRVVKZPKMUVBHF-AATRIKPKSA-N
MW341.42 g/mol
LogP2.45
Rot. Bonds6

About (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide

(E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide (PubChem CID 75533555) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide
PubChem CID75533555
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide
SMILESCC(Nc1ccncc1NC(=O)/C=C/c1cnn(C)c1)C1CCCO1
InChIInChI=1S/C18H23N5O2/c1-13(17-4-3-9-25-17)21-15-7-8-19-11-16(15)22-18(24)6-5-14-10-20-23(2)12-14/h5-8,10-13,17H,3-4,9H2,1-2H3,(H,19,21)(H,22,24)/b6-5+
InChIKeyJRVVKZPKMUVBHF-AATRIKPKSA-N
XLogP2.45
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide (CID 75533555) is (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide is CC(Nc1ccncc1NC(=O)/C=C/c1cnn(C)c1)C1CCCO1.
What is the InChIKey of (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide?
The InChIKey is JRVVKZPKMUVBHF-AATRIKPKSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(17-4-3-9-25-17)21-15-7-8-19-11-16(15)22-18(24)6-5-14-10-20-23(2)12-14/h5-8,10-13,17H,3-4,9H2,1-2H3,(H,19,21)(H,22,24)/b6-5+.
What are the key properties of (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide?
(E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide has a molecular weight of 341.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 75533555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).