4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine

C19H21N5O — CID 126873131

IUPAC4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cccnc1OCC1CCN(c2ncnc3ncccc23)CC1
InChIInChI=1S/C19H21N5O/c1-14-4-2-9-21-19(14)25-12-15-6-10-24(11-7-15)18-16-5-3-8-20-17(16)22-13-23-18/h2-5,8-9,13,15H,6-7,10-12H2,1H3
InChIKeyIMAKYAMKXPARPZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds4

About 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine

4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 126873131) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID126873131
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cccnc1OCC1CCN(c2ncnc3ncccc23)CC1
InChIInChI=1S/C19H21N5O/c1-14-4-2-9-21-19(14)25-12-15-6-10-24(11-7-15)18-16-5-3-8-20-17(16)22-13-23-18/h2-5,8-9,13,15H,6-7,10-12H2,1H3
InChIKeyIMAKYAMKXPARPZ-UHFFFAOYSA-N
XLogP3.02
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine (CID 126873131) is 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine is Cc1cccnc1OCC1CCN(c2ncnc3ncccc23)CC1.
What is the InChIKey of 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is IMAKYAMKXPARPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-4-2-9-21-19(14)25-12-15-6-10-24(11-7-15)18-16-5-3-8-20-17(16)22-13-23-18/h2-5,8-9,13,15H,6-7,10-12H2,1H3.
What are the key properties of 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine?
4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 335.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 126873131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).