N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide

C25H29FN4O — CID 66861083

IUPACN-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide
SMILESCCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C25H29FN4O/c1-4-30(3)25-22(28-24(31)16-18(2)20-8-6-5-7-9-20)14-15-23(29-25)27-17-19-10-12-21(26)13-11-19/h5-15,18H,4,16-17H2,1-3H3,(H,27,29)(H,28,31)
InChIKeyWYVRDPFVJNWEPG-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.42
Rot. Bonds9

About N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide

N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide (PubChem CID 66861083) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide
PubChem CID66861083
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC NameN-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide
SMILESCCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C25H29FN4O/c1-4-30(3)25-22(28-24(31)16-18(2)20-8-6-5-7-9-20)14-15-23(29-25)27-17-19-10-12-21(26)13-11-19/h5-15,18H,4,16-17H2,1-3H3,(H,27,29)(H,28,31)
InChIKeyWYVRDPFVJNWEPG-UHFFFAOYSA-N
XLogP5.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide
CID 42636408
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
CID 78810531
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide (CID 66861083) is N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide is CCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide?
The InChIKey is WYVRDPFVJNWEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-4-30(3)25-22(28-24(31)16-18(2)20-8-6-5-7-9-20)14-15-23(29-25)27-17-19-10-12-21(26)13-11-19/h5-15,18H,4,16-17H2,1-3H3,(H,27,29)(H,28,31).
What are the key properties of N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide?
N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide has a molecular weight of 420.53 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide is sourced from PubChem (CID 66861083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).