5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

C16H19F3N6O — CID 118733348

IUPAC5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1
InChIInChI=1S/C16H19F3N6O/c1-8-3-9(2)24-13(4-8)25-11-5-10(6-23-14(11)15(21)26)22-7-12(20)16(17,18)19/h3-6,12,22H,7,20H2,1-2H3,(H2,21,26)(H,24,25)/t12-/m1/s1
InChIKeyFDIMKCQGUSVISE-GFCCVEGCSA-N
MW368.36 g/mol
LogP2.24
Rot. Bonds6

About 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 118733348) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
PubChem CID118733348
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1
InChIInChI=1S/C16H19F3N6O/c1-8-3-9(2)24-13(4-8)25-11-5-10(6-23-14(11)15(21)26)22-7-12(20)16(17,18)19/h3-6,12,22H,7,20H2,1-2H3,(H2,21,26)(H,24,25)/t12-/m1/s1
InChIKeyFDIMKCQGUSVISE-GFCCVEGCSA-N
XLogP2.24
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (CID 118733348) is 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1.
What is the InChIKey of 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The InChIKey is FDIMKCQGUSVISE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-8-3-9(2)24-13(4-8)25-11-5-10(6-23-14(11)15(21)26)22-7-12(20)16(17,18)19/h3-6,12,22H,7,20H2,1-2H3,(H2,21,26)(H,24,25)/t12-/m1/s1.
What are the key properties of 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 118733348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).