N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide

C17H20N4O — CID 138056888

IUPACN-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESCc1ccnc(C(C)NC(=O)c2ccc3c(n2)CCCC3)n1
InChIInChI=1S/C17H20N4O/c1-11-9-10-18-16(19-11)12(2)20-17(22)15-8-7-13-5-3-4-6-14(13)21-15/h7-10,12H,3-6H2,1-2H3,(H,20,22)
InChIKeyZDNPCYACWHDFFG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.55
Rot. Bonds3

About N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide

N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide (PubChem CID 138056888) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
PubChem CID138056888
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESCc1ccnc(C(C)NC(=O)c2ccc3c(n2)CCCC3)n1
InChIInChI=1S/C17H20N4O/c1-11-9-10-18-16(19-11)12(2)20-17(22)15-8-7-13-5-3-4-6-14(13)21-15/h7-10,12H,3-6H2,1-2H3,(H,20,22)
InChIKeyZDNPCYACWHDFFG-UHFFFAOYSA-N
XLogP2.55
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
CID 166340444
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 84593131
ethane;N-methylmethanamine;2-methyl-5,6,7,8-tetrahydroquinoline
CID 165400143
2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide
CID 146108746
2-fluoro-4-[2-[1-(4-methylpyrimidin-2-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 166284679
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911491
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 75395364
(1R)-1-(4-methylpyrimidin-2-yl)ethanol
CID 162078577
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
N-(5,6,7,8-tetrahydroquinolin-2-yl)acetamide
CID 10035435
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide
CID 75444590
N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53201122

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide (CID 138056888) is N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide is Cc1ccnc(C(C)NC(=O)c2ccc3c(n2)CCCC3)n1.
What is the InChIKey of N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The InChIKey is ZDNPCYACWHDFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-9-10-18-16(19-11)12(2)20-17(22)15-8-7-13-5-3-4-6-14(13)21-15/h7-10,12H,3-6H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 138056888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).