N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide

C26H25N3O — CID 11463583

IUPACN-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C26H25N3O/c1-3-29(26(30)23-14-13-21-11-7-8-12-22(21)17-23)24-15-16-27-25(18-24)28-19(2)20-9-5-4-6-10-20/h4-19H,3H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyCZOKDDUHYFWQQX-IBGZPJMESA-N
MW395.51 g/mol
LogP6.07
Rot. Bonds6

About N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide

N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide (PubChem CID 11463583) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide
PubChem CID11463583
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C26H25N3O/c1-3-29(26(30)23-14-13-21-11-7-8-12-22(21)17-23)24-15-16-27-25(18-24)28-19(2)20-9-5-4-6-10-20/h4-19H,3H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyCZOKDDUHYFWQQX-IBGZPJMESA-N
XLogP6.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide (CID 11463583) is N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide is CCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is CZOKDDUHYFWQQX-IBGZPJMESA-N. The full InChI is InChI=1S/C26H25N3O/c1-3-29(26(30)23-14-13-21-11-7-8-12-22(21)17-23)24-15-16-27-25(18-24)28-19(2)20-9-5-4-6-10-20/h4-19H,3H2,1-2H3,(H,27,28)/t19-/m0/s1.
What are the key properties of N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide?
N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11463583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).