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

C24H25FN4O3 — CID 57404708

IUPAC(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(N)=O)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H25FN4O3/c1-15(2)14-21(28-24(26)31)23(30)29-22-5-3-4-20(27-22)16-6-10-18(11-7-16)32-19-12-8-17(25)9-13-19/h3-13,15,21H,14H2,1-2H3,(H3,26,28,31)(H,27,29,30)/t21-/m0/s1
InChIKeyHAYJQAKCFVJUMU-NRFANRHFSA-N
MW436.49 g/mol
LogP4.70
Rot. Bonds8

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

(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide (PubChem CID 57404708) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
PubChem CID57404708
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(N)=O)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H25FN4O3/c1-15(2)14-21(28-24(26)31)23(30)29-22-5-3-4-20(27-22)16-6-10-18(11-7-16)32-19-12-8-17(25)9-13-19/h3-13,15,21H,14H2,1-2H3,(H3,26,28,31)(H,27,29,30)/t21-/m0/s1
InChIKeyHAYJQAKCFVJUMU-NRFANRHFSA-N
XLogP4.70
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11134241
3-(3-Fluoro-4-methoxy-phenyl)-3-(2-{2-oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethyl]-pyrrolidin-1-yl}-acetylamino)-propionic acid
CID 10255345
3-(4-Ethoxy-3-fluoro-phenyl)-3-(2-{2-oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethyl]-pyrrolidin-1-yl}-acetylamino)-propionic acid
CID 10346321
2-[3-(4-Methylphenoxy)phenyl]-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 76314247
3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)propanamide
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CID 24830549
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CID 24830704
N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide (CID 57404708) is (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide is CC(C)C[C@H](NC(N)=O)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]-4-methylpentanamide?
The InChIKey is HAYJQAKCFVJUMU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-15(2)14-21(28-24(26)31)23(30)29-22-5-3-4-20(27-22)16-6-10-18(11-7-16)32-19-12-8-17(25)9-13-19/h3-13,15,21H,14H2,1-2H3,(H3,26,28,31)(H,27,29,30)/t21-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide?
(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide has a molecular weight of 436.49 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 57404708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).