(2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide

C25H22N4O — CID 23646978

IUPAC(2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
SMILESN[C@@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C25H22N4O/c26-24(15-21-6-3-5-20-4-1-2-7-23(20)21)25(30)29-22-14-19(16-28-17-22)9-8-18-10-12-27-13-11-18/h1-14,16-17,24H,15,26H2,(H,29,30)/b9-8+/t24-/m0/s1
InChIKeyWZSVRUCBLPTNFX-KDLSMAQYSA-N
MW394.48 g/mol
LogP4.31
Rot. Bonds6

About (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide

(2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide (PubChem CID 23646978) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
PubChem CID23646978
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name(2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
SMILESN[C@@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C25H22N4O/c26-24(15-21-6-3-5-20-4-1-2-7-23(20)21)25(30)29-22-14-19(16-28-17-22)9-8-18-10-12-27-13-11-18/h1-14,16-17,24H,15,26H2,(H,29,30)/b9-8+/t24-/m0/s1
InChIKeyWZSVRUCBLPTNFX-KDLSMAQYSA-N
XLogP4.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide (CID 23646978) is (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide is N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(/C=C/c2ccncc2)c1.
What is the InChIKey of (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The InChIKey is WZSVRUCBLPTNFX-KDLSMAQYSA-N. The full InChI is InChI=1S/C25H22N4O/c26-24(15-21-6-3-5-20-4-1-2-7-23(20)21)25(30)29-22-14-19(16-28-17-22)9-8-18-10-12-27-13-11-18/h1-14,16-17,24H,15,26H2,(H,29,30)/b9-8+/t24-/m0/s1.
What are the key properties of (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
(2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-naphthalen-1-yl-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide is sourced from PubChem (CID 23646978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).