4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide

C14H14F3N5O — CID 133313933

IUPAC4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCCNc2ncccc2C(F)(F)F)ccn1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)10-2-1-4-21-13(10)22-7-6-19-9-3-5-20-11(8-9)12(18)23/h1-5,8H,6-7H2,(H2,18,23)(H,19,20)(H,21,22)
InChIKeyNWXMBMAGAHCVIT-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.12
Rot. Bonds6

About 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide

4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide (PubChem CID 133313933) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
PubChem CID133313933
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCCNc2ncccc2C(F)(F)F)ccn1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)10-2-1-4-21-13(10)22-7-6-19-9-3-5-20-11(8-9)12(18)23/h1-5,8H,6-7H2,(H2,18,23)(H,19,20)(H,21,22)
InChIKeyNWXMBMAGAHCVIT-UHFFFAOYSA-N
XLogP2.12
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide
CID 86859159
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
CID 114384265
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040895
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51122393
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide (CID 133313933) is 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide is NC(=O)c1cc(NCCNc2ncccc2C(F)(F)F)ccn1.
What is the InChIKey of 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide?
The InChIKey is NWXMBMAGAHCVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c15-14(16,17)10-2-1-4-21-13(10)22-7-6-19-9-3-5-20-11(8-9)12(18)23/h1-5,8H,6-7H2,(H2,18,23)(H,19,20)(H,21,22).
What are the key properties of 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide?
4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 133313933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).