N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide

C19H16F3N3O — CID 71796970

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C19H16F3N3O/c1-12-11-16(19(20,21)22)25-17(24-12)9-10-23-18(26)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11H,9-10H2,1H3,(H,23,26)
InChIKeyLYFBFBJCMQZHNK-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.93
Rot. Bonds4

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 71796970) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide
PubChem CID71796970
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C19H16F3N3O/c1-12-11-16(19(20,21)22)25-17(24-12)9-10-23-18(26)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11H,9-10H2,1H3,(H,23,26)
InChIKeyLYFBFBJCMQZHNK-UHFFFAOYSA-N
XLogP3.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide (CID 71796970) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is LYFBFBJCMQZHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12-11-16(19(20,21)22)25-17(24-12)9-10-23-18(26)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11H,9-10H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 71796970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).