6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide

C22H25N5O — CID 139454422

IUPAC6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCCCC4)c3c2)n1
InChIInChI=1S/C22H25N5O/c1-27(2)22(28)20-10-6-9-18(26-20)15-11-12-19-17(13-15)21(24-14-23-19)25-16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8H2,1-2H3,(H,23,24,25)
InChIKeyTXSXCXKTSYHAAF-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.14
Rot. Bonds4

About 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide

6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 139454422) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID139454422
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCCCC4)c3c2)n1
InChIInChI=1S/C22H25N5O/c1-27(2)22(28)20-10-6-9-18(26-20)15-11-12-19-17(13-15)21(24-14-23-19)25-16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8H2,1-2H3,(H,23,24,25)
InChIKeyTXSXCXKTSYHAAF-UHFFFAOYSA-N
XLogP4.14
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide (CID 139454422) is 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCCCC4)c3c2)n1.
What is the InChIKey of 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is TXSXCXKTSYHAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-27(2)22(28)20-10-6-9-18(26-20)15-11-12-19-17(13-15)21(24-14-23-19)25-16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8H2,1-2H3,(H,23,24,25).
What are the key properties of 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide?
6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 139454422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).