5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine

C22H33N5O — CID 67272410

IUPAC5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine
SMILESCc1cnc(CC(CCCN)NCc2ncccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H33N5O/c1-17-13-18(2)20(26-15-17)14-19(5-3-7-23)25-16-21-22(6-4-8-24-21)27-9-11-28-12-10-27/h4,6,8,13,15,19,25H,3,5,7,9-12,14,16,23H2,1-2H3
InChIKeyVWGPBDNQKLKHHO-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.37
Rot. Bonds9

About 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine

5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine (PubChem CID 67272410) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine
PubChem CID67272410
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine
SMILESCc1cnc(CC(CCCN)NCc2ncccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H33N5O/c1-17-13-18(2)20(26-15-17)14-19(5-3-7-23)25-16-21-22(6-4-8-24-21)27-9-11-28-12-10-27/h4,6,8,13,15,19,25H,3,5,7,9-12,14,16,23H2,1-2H3
InChIKeyVWGPBDNQKLKHHO-UHFFFAOYSA-N
XLogP2.37
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine (CID 67272410) is 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine is Cc1cnc(CC(CCCN)NCc2ncccc2N2CCOCC2)c(C)c1.
What is the InChIKey of 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine?
The InChIKey is VWGPBDNQKLKHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-17-13-18(2)20(26-15-17)14-19(5-3-7-23)25-16-21-22(6-4-8-24-21)27-9-11-28-12-10-27/h4,6,8,13,15,19,25H,3,5,7,9-12,14,16,23H2,1-2H3.
What are the key properties of 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine?
5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine has a molecular weight of 383.54 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 67272410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).