N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H24N4O — CID 99830277

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1nccc(CNC(=O)N2CCc3c(cccc3C(C)C)C2)n1
InChIInChI=1S/C19H24N4O/c1-13(2)17-6-4-5-15-12-23(10-8-18(15)17)19(24)21-11-16-7-9-20-14(3)22-16/h4-7,9,13H,8,10-12H2,1-3H3,(H,21,24)
InChIKeyPGHXIQFZCAWBTO-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.18
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 99830277) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID99830277
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1nccc(CNC(=O)N2CCc3c(cccc3C(C)C)C2)n1
InChIInChI=1S/C19H24N4O/c1-13(2)17-6-4-5-15-12-23(10-8-18(15)17)19(24)21-11-16-7-9-20-14(3)22-16/h4-7,9,13H,8,10-12H2,1-3H3,(H,21,24)
InChIKeyPGHXIQFZCAWBTO-UHFFFAOYSA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 99830277) is N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1nccc(CNC(=O)N2CCc3c(cccc3C(C)C)C2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is PGHXIQFZCAWBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)17-6-4-5-15-12-23(10-8-18(15)17)19(24)21-11-16-7-9-20-14(3)22-16/h4-7,9,13H,8,10-12H2,1-3H3,(H,21,24).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 99830277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).