(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide

C25H32N4O3 — CID 167549377

IUPAC(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)N[C@H](CCc1ccccc1)C(=O)N[C@@H](C)C(=O)CCc1cc2c(N)nccc2o1
InChIInChI=1S/C25H32N4O3/c1-16(2)28-21(11-9-18-7-5-4-6-8-18)25(31)29-17(3)22(30)12-10-19-15-20-23(32-19)13-14-27-24(20)26/h4-8,13-17,21,28H,9-12H2,1-3H3,(H2,26,27)(H,29,31)/t17-,21+/m0/s1
InChIKeyZTNDDYWFBZILBR-LAUBAEHRSA-N
MW436.56 g/mol
LogP3.42
Rot. Bonds11

About (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide

(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide (PubChem CID 167549377) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide
PubChem CID167549377
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)N[C@H](CCc1ccccc1)C(=O)N[C@@H](C)C(=O)CCc1cc2c(N)nccc2o1
InChIInChI=1S/C25H32N4O3/c1-16(2)28-21(11-9-18-7-5-4-6-8-18)25(31)29-17(3)22(30)12-10-19-15-20-23(32-19)13-14-27-24(20)26/h4-8,13-17,21,28H,9-12H2,1-3H3,(H2,26,27)(H,29,31)/t17-,21+/m0/s1
InChIKeyZTNDDYWFBZILBR-LAUBAEHRSA-N
XLogP3.42
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide (CID 167549377) is (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide is CC(C)N[C@H](CCc1ccccc1)C(=O)N[C@@H](C)C(=O)CCc1cc2c(N)nccc2o1.
What is the InChIKey of (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide?
The InChIKey is ZTNDDYWFBZILBR-LAUBAEHRSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-16(2)28-21(11-9-18-7-5-4-6-8-18)25(31)29-17(3)22(30)12-10-19-15-20-23(32-19)13-14-27-24(20)26/h4-8,13-17,21,28H,9-12H2,1-3H3,(H2,26,27)(H,29,31)/t17-,21+/m0/s1.
What are the key properties of (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide?
(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide has a molecular weight of 436.56 g/mol, XLogP of 3.42, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 167549377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).