1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide

C19H19Cl2N5O3 — CID 145492942

IUPAC1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide
SMILESC=Nn1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)/c1=N\CC1(C(N)=O)CC1
InChIInChI=1S/C19H19Cl2N5O3/c1-23-26-14(15(27)7-11-12(20)8-24-9-13(11)21)3-4-16(29-2)17(26)25-10-19(5-6-19)18(22)28/h3-4,8-9H,1,5-7,10H2,2H3,(H2,22,28)/b25-17+
InChIKeyOSBQENAWPOHGJL-KOEQRZSOSA-N
MW436.30 g/mol
LogP2.25
Rot. Bonds8

About 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide

1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide (PubChem CID 145492942) has the molecular formula C19H19Cl2N5O3 and a molecular weight of 436.30 g/mol. Its IUPAC name is 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide
PubChem CID145492942
Molecular FormulaC19H19Cl2N5O3
Molecular Weight436.30 g/mol
Exact Mass435.09
IUPAC Name1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide
SMILESC=Nn1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)/c1=N\CC1(C(N)=O)CC1
InChIInChI=1S/C19H19Cl2N5O3/c1-23-26-14(15(27)7-11-12(20)8-24-9-13(11)21)3-4-16(29-2)17(26)25-10-19(5-6-19)18(22)28/h3-4,8-9H,1,5-7,10H2,2H3,(H2,22,28)/b25-17+
InChIKeyOSBQENAWPOHGJL-KOEQRZSOSA-N
XLogP2.25
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
CID 145492945
2-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 24829338
2-(3,5-dichloro-4-pyridinyl)-1-(2,2-diethyl-7-methoxy-1,3-benzodioxol-4-yl)ethanone
CID 143213221
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-prop-2-enoxyphenyl)ethanone
CID 24959221
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
CID 91446208
propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960688
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
CID 67149115
2-(3-chloro-5-methyl-4-pyridinyl)-1-(6-methoxyspiro[2,4-dihydro-1,5-benzodioxepine-3,3'-oxetane]-9-yl)ethanone
CID 163432757
2-(3,5-dichloro-4-pyridinyl)-1-[5-methoxy-4-(thiolan-3-yloxy)-2-pyridinyl]ethanone
CID 22145866
benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960331
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
CID 24962513

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide (CID 145492942) is 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide is C=Nn1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)/c1=N\CC1(C(N)=O)CC1.
What is the InChIKey of 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide?
The InChIKey is OSBQENAWPOHGJL-KOEQRZSOSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3/c1-23-26-14(15(27)7-11-12(20)8-24-9-13(11)21)3-4-16(29-2)17(26)25-10-19(5-6-19)18(22)28/h3-4,8-9H,1,5-7,10H2,2H3,(H2,22,28)/b25-17+.
What are the key properties of 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide?
1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 145492942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).