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

C15H16N4O — CID 103998603

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCc1nccc(CNC(=O)c2ccc3c(c2)CNC3)n1
InChIInChI=1S/C15H16N4O/c1-10-17-5-4-14(19-10)9-18-15(20)11-2-3-12-7-16-8-13(12)6-11/h2-6,16H,7-9H2,1H3,(H,18,20)
InChIKeyNRODVCQUXNHMQC-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.32
Rot. Bonds3

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

N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998603) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998603
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCc1nccc(CNC(=O)c2ccc3c(c2)CNC3)n1
InChIInChI=1S/C15H16N4O/c1-10-17-5-4-14(19-10)9-18-15(20)11-2-3-12-7-16-8-13(12)6-11/h2-6,16H,7-9H2,1H3,(H,18,20)
InChIKeyNRODVCQUXNHMQC-UHFFFAOYSA-N
XLogP1.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 79467462
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
methyl 4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]benzoate;molecular hydrogen
CID 142290980
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998598
N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 79015224
5,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 47298865
2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119182002

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998603) is N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is Cc1nccc(CNC(=O)c2ccc3c(c2)CNC3)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is NRODVCQUXNHMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-17-5-4-14(19-10)9-18-15(20)11-2-3-12-7-16-8-13(12)6-11/h2-6,16H,7-9H2,1H3,(H,18,20).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).