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

C18H18N6O — CID 23646976

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)Nc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C18H18N6O/c19-17(8-15-10-22-12-23-15)18(25)24-16-7-14(9-21-11-16)2-1-13-3-5-20-6-4-13/h1-7,9-12,17H,8,19H2,(H,22,23)(H,24,25)/b2-1+/t17-/m0/s1
InChIKeyASDUZXCXIKUIME-IMLGJKEDSA-N
MW334.38 g/mol
LogP1.88
Rot. Bonds6

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

(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide (PubChem CID 23646976) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
PubChem CID23646976
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)Nc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C18H18N6O/c19-17(8-15-10-22-12-23-15)18(25)24-16-7-14(9-21-11-16)2-1-13-3-5-20-6-4-13/h1-7,9-12,17H,8,19H2,(H,22,23)(H,24,25)/b2-1+/t17-/m0/s1
InChIKeyASDUZXCXIKUIME-IMLGJKEDSA-N
XLogP1.88
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide (CID 23646976) is (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide is N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cncc(/C=C/c2ccncc2)c1.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The InChIKey is ASDUZXCXIKUIME-IMLGJKEDSA-N. The full InChI is InChI=1S/C18H18N6O/c19-17(8-15-10-22-12-23-15)18(25)24-16-7-14(9-21-11-16)2-1-13-3-5-20-6-4-13/h1-7,9-12,17H,8,19H2,(H,22,23)(H,24,25)/b2-1+/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide has a molecular weight of 334.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide is sourced from PubChem (CID 23646976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).