6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine

C21H27ClN4O — CID 171585991

IUPAC6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine
SMILESCc1cc(N[C@@H]2CCCN(C3CC(OCc4ccccc4)C3)C2)nnc1Cl
InChIInChI=1S/C21H27ClN4O/c1-15-10-20(24-25-21(15)22)23-17-8-5-9-26(13-17)18-11-19(12-18)27-14-16-6-3-2-4-7-16/h2-4,6-7,10,17-19H,5,8-9,11-14H2,1H3,(H,23,24)/t17-,18?,19?/m1/s1
InChIKeyYLDJGVSAEKLGCL-LMDPOFIKSA-N
MW386.93 g/mol
LogP4.06
Rot. Bonds6

About 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine

6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine (PubChem CID 171585991) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine
PubChem CID171585991
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine
SMILESCc1cc(N[C@@H]2CCCN(C3CC(OCc4ccccc4)C3)C2)nnc1Cl
InChIInChI=1S/C21H27ClN4O/c1-15-10-20(24-25-21(15)22)23-17-8-5-9-26(13-17)18-11-19(12-18)27-14-16-6-3-2-4-7-16/h2-4,6-7,10,17-19H,5,8-9,11-14H2,1H3,(H,23,24)/t17-,18?,19?/m1/s1
InChIKeyYLDJGVSAEKLGCL-LMDPOFIKSA-N
XLogP4.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine (CID 171585991) is 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine is Cc1cc(N[C@@H]2CCCN(C3CC(OCc4ccccc4)C3)C2)nnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine?
The InChIKey is YLDJGVSAEKLGCL-LMDPOFIKSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-15-10-20(24-25-21(15)22)23-17-8-5-9-26(13-17)18-11-19(12-18)27-14-16-6-3-2-4-7-16/h2-4,6-7,10,17-19H,5,8-9,11-14H2,1H3,(H,23,24)/t17-,18?,19?/m1/s1.
What are the key properties of 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine?
6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine has a molecular weight of 386.93 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 171585991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).