N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C22H20F3N5O2 — CID 118064251

IUPACN-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCc1cc(C(O)C2CC2)c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cn1
InChIInChI=1S/C22H20F3N5O2/c1-12-8-16(20(31)13-2-3-13)17(11-27-12)29-21(32)14-6-7-26-19(9-14)30-18-5-4-15(10-28-18)22(23,24)25/h4-11,13,20,31H,2-3H2,1H3,(H,29,32)(H,26,28,30)
InChIKeyHHXDYUHYRVYZRH-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.64
Rot. Bonds6

About N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118064251) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118064251
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCc1cc(C(O)C2CC2)c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cn1
InChIInChI=1S/C22H20F3N5O2/c1-12-8-16(20(31)13-2-3-13)17(11-27-12)29-21(32)14-6-7-26-19(9-14)30-18-5-4-15(10-28-18)22(23,24)25/h4-11,13,20,31H,2-3H2,1H3,(H,29,32)(H,26,28,30)
InChIKeyHHXDYUHYRVYZRH-UHFFFAOYSA-N
XLogP4.64
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118064251) is N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is Cc1cc(C(O)C2CC2)c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cn1.
What is the InChIKey of N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is HHXDYUHYRVYZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-12-8-16(20(31)13-2-3-13)17(11-27-12)29-21(32)14-6-7-26-19(9-14)30-18-5-4-15(10-28-18)22(23,24)25/h4-11,13,20,31H,2-3H2,1H3,(H,29,32)(H,26,28,30).
What are the key properties of N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118064251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).