6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide

C26H28ClN5O3 — CID 151914820

IUPAC6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide
SMILESCc1cnc(N2CCOCC2)c(CNC(=O)c2cnnc(-c3ccc(OCC4CC4)c(Cl)c3)c2)c1
InChIInChI=1S/C26H28ClN5O3/c1-17-10-20(25(28-13-17)32-6-8-34-9-7-32)14-29-26(33)21-12-23(31-30-15-21)19-4-5-24(22(27)11-19)35-16-18-2-3-18/h4-5,10-13,15,18H,2-3,6-9,14,16H2,1H3,(H,29,33)
InChIKeySVNVGQITOCOCGM-UHFFFAOYSA-N
MW494.00 g/mol
LogP4.06
Rot. Bonds8

About 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide

6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide (PubChem CID 151914820) has the molecular formula C26H28ClN5O3 and a molecular weight of 494.00 g/mol. Its IUPAC name is 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide
PubChem CID151914820
Molecular FormulaC26H28ClN5O3
Molecular Weight494.00 g/mol
Exact Mass493.19
IUPAC Name6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide
SMILESCc1cnc(N2CCOCC2)c(CNC(=O)c2cnnc(-c3ccc(OCC4CC4)c(Cl)c3)c2)c1
InChIInChI=1S/C26H28ClN5O3/c1-17-10-20(25(28-13-17)32-6-8-34-9-7-32)14-29-26(33)21-12-23(31-30-15-21)19-4-5-24(22(27)11-19)35-16-18-2-3-18/h4-5,10-13,15,18H,2-3,6-9,14,16H2,1H3,(H,29,33)
InChIKeySVNVGQITOCOCGM-UHFFFAOYSA-N
XLogP4.06
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.00
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide (CID 151914820) is 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide is Cc1cnc(N2CCOCC2)c(CNC(=O)c2cnnc(-c3ccc(OCC4CC4)c(Cl)c3)c2)c1.
What is the InChIKey of 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide?
The InChIKey is SVNVGQITOCOCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3/c1-17-10-20(25(28-13-17)32-6-8-34-9-7-32)14-29-26(33)21-12-23(31-30-15-21)19-4-5-24(22(27)11-19)35-16-18-2-3-18/h4-5,10-13,15,18H,2-3,6-9,14,16H2,1H3,(H,29,33).
What are the key properties of 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide?
6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide has a molecular weight of 494.00 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-[(5-methyl-2-morpholin-4-yl-3-pyridinyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 151914820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).