(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide

C14H11BrN4O2 — CID 97377795

IUPAC(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)NCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C14H11BrN4O2/c15-9-6-11-14(17-7-9)19-12(18-11)8-16-13(20)4-3-10-2-1-5-21-10/h1-7H,8H2,(H,16,20)(H,17,18,19)/b4-3-
InChIKeyNUGTZBJRKNWRLT-ARJAWSKDSA-N
MW347.17 g/mol
LogP2.64
Rot. Bonds4

About (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide

(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 97377795) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID97377795
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)NCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C14H11BrN4O2/c15-9-6-11-14(17-7-9)19-12(18-11)8-16-13(20)4-3-10-2-1-5-21-10/h1-7H,8H2,(H,16,20)(H,17,18,19)/b4-3-
InChIKeyNUGTZBJRKNWRLT-ARJAWSKDSA-N
XLogP2.64
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60982798
N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide
CID 563483
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114694014
2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 20610026
(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262415
[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate
CID 95310017
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide (CID 97377795) is (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C\c1ccco1)NCc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is NUGTZBJRKNWRLT-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-9-6-11-14(17-7-9)19-12(18-11)8-16-13(20)4-3-10-2-1-5-21-10/h1-7H,8H2,(H,16,20)(H,17,18,19)/b4-3-.
What are the key properties of (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 347.17 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 97377795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).