(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide

C21H19FN4O4 — CID 57405560

IUPAC(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide
SMILESNC(=O)N[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H19FN4O4/c22-14-6-10-16(11-7-14)30-15-8-4-13(5-9-15)17-2-1-3-19(24-17)26-20(28)18(12-27)25-21(23)29/h1-11,18,27H,12H2,(H3,23,25,29)(H,24,26,28)/t18-/m0/s1
InChIKeyFOOXBMKDNSCTCD-SFHVURJKSA-N
MW410.41 g/mol
LogP2.65
Rot. Bonds7

About (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide

(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide (PubChem CID 57405560) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide
PubChem CID57405560
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide
SMILESNC(=O)N[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H19FN4O4/c22-14-6-10-16(11-7-14)30-15-8-4-13(5-9-15)17-2-1-3-19(24-17)26-20(28)18(12-27)25-21(23)29/h1-11,18,27H,12H2,(H3,23,25,29)(H,24,26,28)/t18-/m0/s1
InChIKeyFOOXBMKDNSCTCD-SFHVURJKSA-N
XLogP2.65
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide (CID 57405560) is (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide is NC(=O)N[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide?
The InChIKey is FOOXBMKDNSCTCD-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19FN4O4/c22-14-6-10-16(11-7-14)30-15-8-4-13(5-9-15)17-2-1-3-19(24-17)26-20(28)18(12-27)25-21(23)29/h1-11,18,27H,12H2,(H3,23,25,29)(H,24,26,28)/t18-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide?
(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide has a molecular weight of 410.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide is sourced from PubChem (CID 57405560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).