2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide

C22H25N5O2 — CID 67337210

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCc1cccc(CNC(=O)c2nc(NC3CCC(O)CC3)nc3ccccc23)n1
InChIInChI=1S/C22H25N5O2/c1-14-5-4-6-16(24-14)13-23-21(29)20-18-7-2-3-8-19(18)26-22(27-20)25-15-9-11-17(28)12-10-15/h2-8,15,17,28H,9-13H2,1H3,(H,23,29)(H,25,26,27)
InChIKeyWZPUQENUJPUTKL-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.98
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide (PubChem CID 67337210) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
PubChem CID67337210
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCc1cccc(CNC(=O)c2nc(NC3CCC(O)CC3)nc3ccccc23)n1
InChIInChI=1S/C22H25N5O2/c1-14-5-4-6-16(24-14)13-23-21(29)20-18-7-2-3-8-19(18)26-22(27-20)25-15-9-11-17(28)12-10-15/h2-8,15,17,28H,9-13H2,1H3,(H,23,29)(H,25,26,27)
InChIKeyWZPUQENUJPUTKL-UHFFFAOYSA-N
XLogP2.98
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide (CID 67337210) is 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide is Cc1cccc(CNC(=O)c2nc(NC3CCC(O)CC3)nc3ccccc23)n1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The InChIKey is WZPUQENUJPUTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-5-4-6-16(24-14)13-23-21(29)20-18-7-2-3-8-19(18)26-22(27-20)25-15-9-11-17(28)12-10-15/h2-8,15,17,28H,9-13H2,1H3,(H,23,29)(H,25,26,27).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 67337210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).