N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide

C10H13F3N4O — CID 82331124

IUPACN-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(NCCCNC(=O)C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9(18)16-5-1-4-15-8-3-2-7(14)6-17-8/h2-3,6H,1,4-5,14H2,(H,15,17)(H,16,18)
InChIKeyDDWFONCKJYVLTO-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.14
Rot. Bonds5

About N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 82331124) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID82331124
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(NCCCNC(=O)C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9(18)16-5-1-4-15-8-3-2-7(14)6-17-8/h2-3,6H,1,4-5,14H2,(H,15,17)(H,16,18)
InChIKeyDDWFONCKJYVLTO-UHFFFAOYSA-N
XLogP1.14
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Phenyl-N'-2-pyridinylurea
CID 221427
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
2-Acetamidopyridine
CID 72929
Pyrido(2,3-b)pyrazine-2,3-diol
CID 74947
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
N,N'-Bis(2-pyridyl)oxalamide
CID 1927420
2-N-phenylpyridine-2,3-diamine
CID 10679091
1,3-Dihydroimidazo(4,5-b)pyridin-2-one
CID 519250
2-(Pivaloylamino)pyridine
CID 1051519
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione
CID 10823392

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide (CID 82331124) is N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide is Nc1ccc(NCCCNC(=O)C(F)(F)F)nc1.
What is the InChIKey of N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is DDWFONCKJYVLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)9(18)16-5-1-4-15-8-3-2-7(14)6-17-8/h2-3,6H,1,4-5,14H2,(H,15,17)(H,16,18).
What are the key properties of N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 262.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 82331124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).