N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

C20H24F3N7O — CID 166626918

IUPACN-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1
InChIInChI=1S/C20H24F3N7O/c21-20(22,23)15-11-27-19(30-17(15)26-9-12-5-7-24-8-6-12)29-14-3-4-16(25-10-14)18(31)28-13-1-2-13/h3-4,10-13,24H,1-2,5-9H2,(H,28,31)(H2,26,27,29,30)
InChIKeyRDCSFKPLLCCMQM-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.94
Rot. Bonds7

About N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 166626918) has the molecular formula C20H24F3N7O and a molecular weight of 435.45 g/mol. Its IUPAC name is N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID166626918
Molecular FormulaC20H24F3N7O
Molecular Weight435.45 g/mol
Exact Mass435.20
IUPAC NameN-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1
InChIInChI=1S/C20H24F3N7O/c21-20(22,23)15-11-27-19(30-17(15)26-9-12-5-7-24-8-6-12)29-14-3-4-16(25-10-14)18(31)28-13-1-2-13/h3-4,10-13,24H,1-2,5-9H2,(H,28,31)(H2,26,27,29,30)
InChIKeyRDCSFKPLLCCMQM-UHFFFAOYSA-N
XLogP2.94
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 166626918) is N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is O=C(NC1CC1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1.
What is the InChIKey of N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is RDCSFKPLLCCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O/c21-20(22,23)15-11-27-19(30-17(15)26-9-12-5-7-24-8-6-12)29-14-3-4-16(25-10-14)18(31)28-13-1-2-13/h3-4,10-13,24H,1-2,5-9H2,(H,28,31)(H2,26,27,29,30).
What are the key properties of N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166626918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).