N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C17H20N6O — CID 122264045

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C17H20N6O/c24-17(14-5-6-16(22-21-14)23-7-1-2-8-23)18-10-13-9-15(12-3-4-12)20-11-19-13/h5-6,9,11-12H,1-4,7-8,10H2,(H,18,24)
InChIKeyMBRJFBODHAMNKO-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.67
Rot. Bonds5

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 122264045) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID122264045
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C17H20N6O/c24-17(14-5-6-16(22-21-14)23-7-1-2-8-23)18-10-13-9-15(12-3-4-12)20-11-19-13/h5-6,9,11-12H,1-4,7-8,10H2,(H,18,24)
InChIKeyMBRJFBODHAMNKO-UHFFFAOYSA-N
XLogP1.67
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122263898
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028016
4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
CID 122263921
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 122264045) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(NCc1cc(C2CC2)ncn1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is MBRJFBODHAMNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-17(14-5-6-16(22-21-14)23-7-1-2-8-23)18-10-13-9-15(12-3-4-12)20-11-19-13/h5-6,9,11-12H,1-4,7-8,10H2,(H,18,24).
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 122264045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).