1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide

C13H17F3N4O — CID 119853879

IUPAC1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)9-2-3-10(20-8-9)18-6-1-7-19-11(21)12(17)4-5-12/h2-3,8H,1,4-7,17H2,(H,18,20)(H,19,21)
InChIKeyISIVUAUUHJQICD-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.51
Rot. Bonds6

About 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide

1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide (PubChem CID 119853879) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
PubChem CID119853879
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)9-2-3-10(20-8-9)18-6-1-7-19-11(21)12(17)4-5-12/h2-3,8H,1,4-7,17H2,(H,18,20)(H,19,21)
InChIKeyISIVUAUUHJQICD-UHFFFAOYSA-N
XLogP1.51
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.51
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

5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1-benzothiophene-2-carboxamide
CID 46427172
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]butanamide
CID 46426990
(2S)-2-(1,2,4-triazol-1-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]propanamide
CID 94026449
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 47083315
1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide
CID 119867759
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide
CID 46473451
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide (CID 119853879) is 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide?
The InChIKey is ISIVUAUUHJQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)9-2-3-10(20-8-9)18-6-1-7-19-11(21)12(17)4-5-12/h2-3,8H,1,4-7,17H2,(H,18,20)(H,19,21).
What are the key properties of 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide?
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119853879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).