(E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide

C21H26N4O2 — CID 157173188

IUPAC(E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide
SMILESC[C@H](NC(=O)[C@H](N)C/C=C/c1ccccc1)C(=O)CCc1ccc(N)nc1
InChIInChI=1S/C21H26N4O2/c1-15(19(26)12-10-17-11-13-20(23)24-14-17)25-21(27)18(22)9-5-8-16-6-3-2-4-7-16/h2-8,11,13-15,18H,9-10,12,22H2,1H3,(H2,23,24)(H,25,27)/b8-5+/t15-,18+/m0/s1
InChIKeyCYQSVZOXEZTLRV-YUOUUPDRSA-N
MW366.47 g/mol
LogP2.10
Rot. Bonds9

About (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide

(E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide (PubChem CID 157173188) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide
PubChem CID157173188
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide
SMILESC[C@H](NC(=O)[C@H](N)C/C=C/c1ccccc1)C(=O)CCc1ccc(N)nc1
InChIInChI=1S/C21H26N4O2/c1-15(19(26)12-10-17-11-13-20(23)24-14-17)25-21(27)18(22)9-5-8-16-6-3-2-4-7-16/h2-8,11,13-15,18H,9-10,12,22H2,1H3,(H2,23,24)(H,25,27)/b8-5+/t15-,18+/m0/s1
InChIKeyCYQSVZOXEZTLRV-YUOUUPDRSA-N
XLogP2.10
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide?
The IUPAC name of (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide (CID 157173188) is (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide.
What is the SMILES notation for (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide?
The canonical SMILES for (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide is C[C@H](NC(=O)[C@H](N)C/C=C/c1ccccc1)C(=O)CCc1ccc(N)nc1.
What is the InChIKey of (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide?
The InChIKey is CYQSVZOXEZTLRV-YUOUUPDRSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(19(26)12-10-17-11-13-20(23)24-14-17)25-21(27)18(22)9-5-8-16-6-3-2-4-7-16/h2-8,11,13-15,18H,9-10,12,22H2,1H3,(H2,23,24)(H,25,27)/b8-5+/t15-,18+/m0/s1.
What are the key properties of (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide?
(E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide has a molecular weight of 366.47 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-amino-N-[(2S)-5-(6-amino-3-pyridinyl)-3-oxopentan-2-yl]-5-phenylpent-4-enamide is sourced from PubChem (CID 157173188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).