3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide

C16H17F3N4O — CID 119894014

IUPAC3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H17F3N4O/c1-10(20)8-15(24)23-13-5-3-12(4-6-13)22-14-7-2-11(9-21-14)16(17,18)19/h2-7,9-10H,8,20H2,1H3,(H,21,22)(H,23,24)
InChIKeyMCXRBFBBSSVIKR-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.52
Rot. Bonds5

About 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide

3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide (PubChem CID 119894014) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide
PubChem CID119894014
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H17F3N4O/c1-10(20)8-15(24)23-13-5-3-12(4-6-13)22-14-7-2-11(9-21-14)16(17,18)19/h2-7,9-10H,8,20H2,1H3,(H,21,22)(H,23,24)
InChIKeyMCXRBFBBSSVIKR-UHFFFAOYSA-N
XLogP3.52
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide (CID 119894014) is 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide is CC(N)CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide?
The InChIKey is MCXRBFBBSSVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10(20)8-15(24)23-13-5-3-12(4-6-13)22-14-7-2-11(9-21-14)16(17,18)19/h2-7,9-10H,8,20H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide?
3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide has a molecular weight of 338.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide is sourced from PubChem (CID 119894014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).