cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone

C18H23N5O — CID 146038099

IUPACcyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc2ncnc(NCC3CCN(C(=O)C4CC4)CC3)c2n1
InChIInChI=1S/C18H23N5O/c1-12-2-5-15-16(22-12)17(21-11-20-15)19-10-13-6-8-23(9-7-13)18(24)14-3-4-14/h2,5,11,13-14H,3-4,6-10H2,1H3,(H,19,20,21)
InChIKeyGCANFWUTKRTDHR-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.39
Rot. Bonds4

About cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone

cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 146038099) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID146038099
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Namecyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc2ncnc(NCC3CCN(C(=O)C4CC4)CC3)c2n1
InChIInChI=1S/C18H23N5O/c1-12-2-5-15-16(22-12)17(21-11-20-15)19-10-13-6-8-23(9-7-13)18(24)14-3-4-14/h2,5,11,13-14H,3-4,6-10H2,1H3,(H,19,20,21)
InChIKeyGCANFWUTKRTDHR-UHFFFAOYSA-N
XLogP2.39
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone (CID 146038099) is cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone is Cc1ccc2ncnc(NCC3CCN(C(=O)C4CC4)CC3)c2n1.
What is the InChIKey of cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is GCANFWUTKRTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-2-5-15-16(22-12)17(21-11-20-15)19-10-13-6-8-23(9-7-13)18(24)14-3-4-14/h2,5,11,13-14H,3-4,6-10H2,1H3,(H,19,20,21).
What are the key properties of cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 146038099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).