N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide

C22H23ClFN5O — CID 118211015

IUPACN-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCCN
InChIInChI=1S/C22H23ClFN5O/c1-13(2)16-12-28-20(15-9-14(23)3-4-18(15)24)10-21(16)29-19-5-7-26-11-17(19)22(30)27-8-6-25/h3-5,7,9-13H,6,8,25H2,1-2H3,(H,27,30)(H,26,28,29)
InChIKeyOIYYETCFCIAZSC-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.49
Rot. Bonds7

About N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide

N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 118211015) has the molecular formula C22H23ClFN5O and a molecular weight of 427.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID118211015
Molecular FormulaC22H23ClFN5O
Molecular Weight427.91 g/mol
Exact Mass427.16
IUPAC NameN-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCCN
InChIInChI=1S/C22H23ClFN5O/c1-13(2)16-12-28-20(15-9-14(23)3-4-18(15)24)10-21(16)29-19-5-7-26-11-17(19)22(30)27-8-6-25/h3-5,7,9-13H,6,8,25H2,1-2H3,(H,27,30)(H,26,28,29)
InChIKeyOIYYETCFCIAZSC-UHFFFAOYSA-N
XLogP4.49
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide (CID 118211015) is N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide is CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is OIYYETCFCIAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O/c1-13(2)16-12-28-20(15-9-14(23)3-4-18(15)24)10-21(16)29-19-5-7-26-11-17(19)22(30)27-8-6-25/h3-5,7,9-13H,6,8,25H2,1-2H3,(H,27,30)(H,26,28,29).
What are the key properties of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 427.91 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118211015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).