N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide

C20H16Cl2N2O5 — CID 135180147

IUPACN-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc2c(=O)cc(-c3c(Cl)c(OC)cc(OC)c3Cl)oc2cn1
InChIInChI=1S/C20H16Cl2N2O5/c1-4-17(26)24-8-10-5-11-12(25)6-13(29-16(11)9-23-10)18-19(21)14(27-2)7-15(28-3)20(18)22/h4-7,9H,1,8H2,2-3H3,(H,24,26)
InChIKeyCXEKYUZFTFTZLH-UHFFFAOYSA-N
MW435.26 g/mol
LogP3.98
Rot. Bonds6

About N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide

N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide (PubChem CID 135180147) has the molecular formula C20H16Cl2N2O5 and a molecular weight of 435.26 g/mol. Its IUPAC name is N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide
PubChem CID135180147
Molecular FormulaC20H16Cl2N2O5
Molecular Weight435.26 g/mol
Exact Mass434.04
IUPAC NameN-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc2c(=O)cc(-c3c(Cl)c(OC)cc(OC)c3Cl)oc2cn1
InChIInChI=1S/C20H16Cl2N2O5/c1-4-17(26)24-8-10-5-11-12(25)6-13(29-16(11)9-23-10)18-19(21)14(27-2)7-15(28-3)20(18)22/h4-7,9H,1,8H2,2-3H3,(H,24,26)
InChIKeyCXEKYUZFTFTZLH-UHFFFAOYSA-N
XLogP3.98
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide with MolForge

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Related Compounds

N-[3-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]amino]oxan-4-yl]formamide
CID 167095650
N-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide
CID 122477605
5-[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,6-naphthyridin-3-yl]pent-1-en-3-one
CID 158274351
N-[[3-(2,6-difluoro-3,5-dimethoxyphenyl)-2-oxo-1-[[(3R)-oxolan-3-yl]methyl]-4H-pyrido[4,3-d]pyrimidin-7-yl]methyl]prop-2-enamide
CID 122477588
N-[5-[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide
CID 135180233
N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-6-methyl-5-oxo-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 139385460
N-[6-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-3-pyridinyl]prop-2-enamide
CID 86294621
N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide
CID 172887450
N-[[8-(cyclopropylmethylamino)-6-[2,6-dichloro-3-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(prop-2-enoylamino)methyl]pyrido[3,4-d]pyrimidin-8-yl]amino]-3-methoxypropoxy]-5-methoxyphenyl]pyrido[3,4-d]pyrimidin-2-yl]methyl]prop-2-enamide
CID 139456917
6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one
CID 139217452
N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-oxo-6H-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 135180050
1-[4-[3-[7-(2,6-dichloro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]propyl]piperazin-1-yl]prop-2-en-1-one
CID 155108503

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide (CID 135180147) is N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide is C=CC(=O)NCc1cc2c(=O)cc(-c3c(Cl)c(OC)cc(OC)c3Cl)oc2cn1.
What is the InChIKey of N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide?
The InChIKey is CXEKYUZFTFTZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O5/c1-4-17(26)24-8-10-5-11-12(25)6-13(29-16(11)9-23-10)18-19(21)14(27-2)7-15(28-3)20(18)22/h4-7,9H,1,8H2,2-3H3,(H,24,26).
What are the key properties of N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide?
N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide has a molecular weight of 435.26 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-oxopyrano[2,3-c]pyridin-6-yl]methyl]prop-2-enamide is sourced from PubChem (CID 135180147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).