methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine

C20H25N5O5 — CID 167486568

IUPACmethyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine
SMILESCNC.COC(=O)c1cccc(Nc2cc(NC(=O)C3CC3)nnc2C=O)c1OC
InChIInChI=1S/C18H18N4O5.C2H7N/c1-26-16-11(18(25)27-2)4-3-5-12(16)19-13-8-15(22-21-14(13)9-23)20-17(24)10-6-7-10;1-3-2/h3-5,8-10H,6-7H2,1-2H3,(H2,19,20,22,24);3H,1-2H3
InChIKeySFOLPNHMBVAMJT-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.01
Rot. Bonds7

About methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine

methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine (PubChem CID 167486568) has the molecular formula C20H25N5O5 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine.

Molecular Properties

Compound Namemethyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine
PubChem CID167486568
Molecular FormulaC20H25N5O5
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC Namemethyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine
SMILESCNC.COC(=O)c1cccc(Nc2cc(NC(=O)C3CC3)nnc2C=O)c1OC
InChIInChI=1S/C18H18N4O5.C2H7N/c1-26-16-11(18(25)27-2)4-3-5-12(16)19-13-8-15(22-21-14(13)9-23)20-17(24)10-6-7-10;1-3-2/h3-5,8-10H,6-7H2,1-2H3,(H2,19,20,22,24);3H,1-2H3
InChIKeySFOLPNHMBVAMJT-UHFFFAOYSA-N
XLogP2.01
TPSA131.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine with MolForge

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Related Compounds

N-[5-[3-(5-fluoro-6-methyl-3-pyridinyl)-2-methoxyanilino]-6-formylpyridazin-3-yl]cyclopropanecarboxamide
CID 167486253
4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 171347552
tert-butyl 4-[3-[3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxyphenyl]-1,2,4-triazol-1-yl]butanoate
CID 175512479
ethane;methyl 3-[[5-(cyclopropanecarbonylamino)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoate
CID 142334434
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
6-(cyclopropanecarbonylamino)-4-[3-[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]pyridazine-3-carboxylic acid
CID 175512496
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide
CID 178104044
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
CID 174037192
CID 174037192

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine?
The IUPAC name of methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine (CID 167486568) is methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine.
What is the SMILES notation for methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine?
The canonical SMILES for methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine is CNC.COC(=O)c1cccc(Nc2cc(NC(=O)C3CC3)nnc2C=O)c1OC.
What is the InChIKey of methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine?
The InChIKey is SFOLPNHMBVAMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5.C2H7N/c1-26-16-11(18(25)27-2)4-3-5-12(16)19-13-8-15(22-21-14(13)9-23)20-17(24)10-6-7-10;1-3-2/h3-5,8-10H,6-7H2,1-2H3,(H2,19,20,22,24);3H,1-2H3.
What are the key properties of methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine?
methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine has a molecular weight of 415.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(cyclopropanecarbonylamino)-3-formylpyridazin-4-yl]amino]-2-methoxybenzoate;N-methylmethanamine is sourced from PubChem (CID 167486568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).