4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile

C19H23N7O — CID 155520224

IUPAC4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(Cc2cccnc2)C2CCCC2)n1
InChIInChI=1S/C19H23N7O/c20-12-17-22-18(25-8-10-27-11-9-25)24-19(23-17)26(16-5-1-2-6-16)14-15-4-3-7-21-13-15/h3-4,7,13,16H,1-2,5-6,8-11,14H2
InChIKeyAYOBDPAMJLXDSG-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.92
Rot. Bonds5

About 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile

4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 155520224) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
PubChem CID155520224
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(Cc2cccnc2)C2CCCC2)n1
InChIInChI=1S/C19H23N7O/c20-12-17-22-18(25-8-10-27-11-9-25)24-19(23-17)26(16-5-1-2-6-16)14-15-4-3-7-21-13-15/h3-4,7,13,16H,1-2,5-6,8-11,14H2
InChIKeyAYOBDPAMJLXDSG-UHFFFAOYSA-N
XLogP1.92
TPSA91.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (CID 155520224) is 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N(Cc2cccnc2)C2CCCC2)n1.
What is the InChIKey of 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is AYOBDPAMJLXDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c20-12-17-22-18(25-8-10-27-11-9-25)24-19(23-17)26(16-5-1-2-6-16)14-15-4-3-7-21-13-15/h3-4,7,13,16H,1-2,5-6,8-11,14H2.
What are the key properties of 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(pyridin-3-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 155520224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).