N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide

C16H19N5O2 — CID 72931703

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide
SMILESCN(C)c1ncc2c(n1)CCCC2NC(=O)c1ncccc1O
InChIInChI=1S/C16H19N5O2/c1-21(2)16-18-9-10-11(5-3-6-12(10)20-16)19-15(23)14-13(22)7-4-8-17-14/h4,7-9,11,22H,3,5-6H2,1-2H3,(H,19,23)
InChIKeyQEQCRUNTTZKMNZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.45
Rot. Bonds3

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 72931703) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID72931703
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide
SMILESCN(C)c1ncc2c(n1)CCCC2NC(=O)c1ncccc1O
InChIInChI=1S/C16H19N5O2/c1-21(2)16-18-9-10-11(5-3-6-12(10)20-16)19-15(23)14-13(22)7-4-8-17-14/h4,7-9,11,22H,3,5-6H2,1-2H3,(H,19,23)
InChIKeyQEQCRUNTTZKMNZ-UHFFFAOYSA-N
XLogP1.45
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide (CID 72931703) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide is CN(C)c1ncc2c(n1)CCCC2NC(=O)c1ncccc1O.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is QEQCRUNTTZKMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-21(2)16-18-9-10-11(5-3-6-12(10)20-16)19-15(23)14-13(22)7-4-8-17-14/h4,7-9,11,22H,3,5-6H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 72931703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).