1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C21H24N6O — CID 133286301

IUPAC1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc2ncnc(NCc3cccnc3N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C21H24N6O/c1-14-4-5-18-17(11-14)20(26-13-25-18)24-12-16-3-2-8-23-21(16)27-9-6-15(7-10-27)19(22)28/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H2,22,28)(H,24,25,26)
InChIKeyOMPWJCKTTNCAET-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.65
Rot. Bonds5

About 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 133286301) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID133286301
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc2ncnc(NCc3cccnc3N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C21H24N6O/c1-14-4-5-18-17(11-14)20(26-13-25-18)24-12-16-3-2-8-23-21(16)27-9-6-15(7-10-27)19(22)28/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H2,22,28)(H,24,25,26)
InChIKeyOMPWJCKTTNCAET-UHFFFAOYSA-N
XLogP2.65
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 133286301) is 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is Cc1ccc2ncnc(NCc3cccnc3N3CCC(C(N)=O)CC3)c2c1.
What is the InChIKey of 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is OMPWJCKTTNCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-4-5-18-17(11-14)20(26-13-25-18)24-12-16-3-2-8-23-21(16)27-9-6-15(7-10-27)19(22)28/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H2,22,28)(H,24,25,26).
What are the key properties of 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 133286301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).