N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide

C14H14N4O — CID 102922274

IUPACN-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1cncnc1
InChIInChI=1S/C14H14N4O/c19-14(11-7-15-9-16-8-11)18-12-4-3-10-2-1-5-17-13(10)6-12/h3-4,6-9,17H,1-2,5H2,(H,18,19)
InChIKeyONCCAELRWFTGJQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.09
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide

N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide (PubChem CID 102922274) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
PubChem CID102922274
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1cncnc1
InChIInChI=1S/C14H14N4O/c19-14(11-7-15-9-16-8-11)18-12-4-3-10-2-1-5-17-13(10)6-12/h3-4,6-9,17H,1-2,5H2,(H,18,19)
InChIKeyONCCAELRWFTGJQ-UHFFFAOYSA-N
XLogP2.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63928514
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
CID 86780001
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
CID 103807021
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
CID 69110343
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide (CID 102922274) is N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide is O=C(Nc1ccc2c(c1)NCCC2)c1cncnc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide?
The InChIKey is ONCCAELRWFTGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-14(11-7-15-9-16-8-11)18-12-4-3-10-2-1-5-17-13(10)6-12/h3-4,6-9,17H,1-2,5H2,(H,18,19).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide?
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).