(2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide

C18H23N3O — CID 12745555

IUPAC(2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide
SMILESCC(C)NCC[C@@](C(N)=O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)/t18-/m1/s1
InChIKeyUWNSWIXIVDMCHZ-GOSISDBHSA-N
MW297.40 g/mol
LogP2.24
Rot. Bonds7

About (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide

(2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide (PubChem CID 12745555) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide
PubChem CID12745555
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide
SMILESCC(C)NCC[C@@](C(N)=O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)/t18-/m1/s1
InChIKeyUWNSWIXIVDMCHZ-GOSISDBHSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide?
The IUPAC name of (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide (CID 12745555) is (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide.
What is the SMILES notation for (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide?
The canonical SMILES for (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide is CC(C)NCC[C@@](C(N)=O)(c1ccccc1)c1ccccn1.
What is the InChIKey of (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide?
The InChIKey is UWNSWIXIVDMCHZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)/t18-/m1/s1.
What are the key properties of (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide?
(2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide is sourced from PubChem (CID 12745555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).