N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C16H18N4O — CID 43325681

IUPACN-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc3c(c2)CCCN3)n1
InChIInChI=1S/C16H18N4O/c1-10-8-11(2)19-16(18-10)20-15(21)13-5-6-14-12(9-13)4-3-7-17-14/h5-6,8-9,17H,3-4,7H2,1-2H3,(H,18,19,20,21)
InChIKeyPQNQJEAHYSQNLM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.70
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 43325681) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID43325681
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc3c(c2)CCCN3)n1
InChIInChI=1S/C16H18N4O/c1-10-8-11(2)19-16(18-10)20-15(21)13-5-6-14-12(9-13)4-3-7-17-14/h5-6,8-9,17H,3-4,7H2,1-2H3,(H,18,19,20,21)
InChIKeyPQNQJEAHYSQNLM-UHFFFAOYSA-N
XLogP2.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 114932174
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325639
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83165588
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61482479
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 43325681) is N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc3c(c2)CCCN3)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is PQNQJEAHYSQNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-8-11(2)19-16(18-10)20-15(21)13-5-6-14-12(9-13)4-3-7-17-14/h5-6,8-9,17H,3-4,7H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 43325681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).