3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide

C19H15N3O — CID 45246114

IUPAC3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide
SMILESCC(NC(=O)C#Cc1cccc2ccccc12)c1ccncn1
InChIInChI=1S/C19H15N3O/c1-14(18-11-12-20-13-21-18)22-19(23)10-9-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,11-14H,1H3,(H,22,23)
InChIKeyBLLZKCAXBUVLQN-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.86
Rot. Bonds2

About 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide

3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide (PubChem CID 45246114) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide
PubChem CID45246114
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide
SMILESCC(NC(=O)C#Cc1cccc2ccccc12)c1ccncn1
InChIInChI=1S/C19H15N3O/c1-14(18-11-12-20-13-21-18)22-19(23)10-9-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,11-14H,1H3,(H,22,23)
InChIKeyBLLZKCAXBUVLQN-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide
CID 140575340
2-(2-methylphenyl)sulfanyl-N-(1-pyrimidin-4-ylethyl)acetamide
CID 45196864
3-pyrimidin-4-ylbutanoic acid
CID 82597054
2-naphthalen-1-yl-N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 25356977
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700530
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
(3E)-3-benzylidene-5-naphthalen-1-ylpent-4-yn-2-one
CID 139250713
3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide
CID 166664239
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide?
The IUPAC name of 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide (CID 45246114) is 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide?
The canonical SMILES for 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide is CC(NC(=O)C#Cc1cccc2ccccc12)c1ccncn1.
What is the InChIKey of 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide?
The InChIKey is BLLZKCAXBUVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-14(18-11-12-20-13-21-18)22-19(23)10-9-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,11-14H,1H3,(H,22,23).
What are the key properties of 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide?
3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide has a molecular weight of 301.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide is sourced from PubChem (CID 45246114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).