(2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

C26H24N2O — CID 100509369

IUPAC(2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESC[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C26H24N2O/c1-19(17-23-7-4-6-22-5-2-3-8-25(22)23)26(29)28-24-11-9-20(10-12-24)18-21-13-15-27-16-14-21/h2-16,19H,17-18H2,1H3,(H,28,29)/t19-/m0/s1
InChIKeyKVCNYYBJHQSKRZ-IBGZPJMESA-N
MW380.49 g/mol
LogP5.64
Rot. Bonds6

About (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

(2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (PubChem CID 100509369) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
PubChem CID100509369
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name(2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESC[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C26H24N2O/c1-19(17-23-7-4-6-22-5-2-3-8-25(22)23)26(29)28-24-11-9-20(10-12-24)18-21-13-15-27-16-14-21/h2-16,19H,17-18H2,1H3,(H,28,29)/t19-/m0/s1
InChIKeyKVCNYYBJHQSKRZ-IBGZPJMESA-N
XLogP5.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 84565303
2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100508937
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide
CID 154984717
2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide
CID 166890298
(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 92534595

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (CID 100509369) is (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is C[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The InChIKey is KVCNYYBJHQSKRZ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H24N2O/c1-19(17-23-7-4-6-22-5-2-3-8-25(22)23)26(29)28-24-11-9-20(10-12-24)18-21-13-15-27-16-14-21/h2-16,19H,17-18H2,1H3,(H,28,29)/t19-/m0/s1.
What are the key properties of (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
(2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 100509369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).