N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H17N3O — CID 45194172

IUPACN-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1ccncn1)C1CCc2ccccc2C1
InChIInChI=1S/C16H17N3O/c20-16(18-10-15-7-8-17-11-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,11,14H,5-6,9-10H2,(H,18,20)
InChIKeyYULFBKNSAUGXJW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.90
Rot. Bonds3

About N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 45194172) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID45194172
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1ccncn1)C1CCc2ccccc2C1
InChIInChI=1S/C16H17N3O/c20-16(18-10-15-7-8-17-11-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,11,14H,5-6,9-10H2,(H,18,20)
InChIKeyYULFBKNSAUGXJW-UHFFFAOYSA-N
XLogP1.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91784738
2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110923
2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138379319
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91782128
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(3-amino-2,2-difluoropropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127316
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127121

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 45194172) is N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCc1ccncn1)C1CCc2ccccc2C1.
What is the InChIKey of N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YULFBKNSAUGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(18-10-15-7-8-17-11-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,11,14H,5-6,9-10H2,(H,18,20).
What are the key properties of N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 45194172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).